Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T02226 | Target Info | |||
| Target Name | HUMAN calcitonin gene-related peptide type 1 receptor (CALCRL) | ||||
| Synonyms |
Calcitonin receptor-like receptor; Calcitonin gene-related peptide type 1 receptor; CGRPR; CGRP type 1 receptor
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| Gene Name | CALCRL | ||||
| Biochemical Class | GPCR secretin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 16 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(2R)-6-Amino-2-[[(2S)-3-(4-amino-3,5-dibromophenyl)-2-(4-phenylbutanoylamino)propanoyl]amino]-N-phenylhexanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL426646; BDBM50173484
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| Activity |
IC50 = 50000 nM
|
[1] | |||
| Compound Name |
Yvptnvgsegf
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL410450; BDBM50062182
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| Activity |
IC50 = 51000 nM
|
[2] | |||
| Compound Name |
Yvptfvgseaf
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL266666; BDBM50062202
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| Activity |
IC50 = 70000 nM
|
[2] | |||
| Compound Name |
(R)-(2-Benzo[1,3]dioxol-5-yl-6-methoxy-quinolin-4-yl)-(5-ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL88111; BDBM50290550
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| Activity |
IC50 = 74000 nM
|
[3] | |||
| Compound Name |
(4S)-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL410354; YVPTNVGSEAf; BDBM50062195
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| Activity |
IC50 = 80000 nM
|
[2] | |||
| Compound Name |
Yvptqvgseaf
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL269517; BDBM50062209
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| Activity |
IC50 = 95000 nM
|
[2] | |||
| Compound Name |
(R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-(6-methoxy-2-phenyl-quinolin-4-yl)-methanol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL316211; BDBM50290546
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| Activity |
IC50 = 96000 nM
|
[3] | |||
| Compound Name |
(R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-(6-methoxy-2-thiophen-3-yl-quinolin-4-yl)-methanol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL88196; BDBM50290557
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
(4S)-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL405695; YVPTNVGSEAf; BDBM50062192
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(4S)-4-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-4-Amino-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL263986; YVPTNVGSEAf; BDBM50062172
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(4S)-4-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL409807; YVPTNVGSEAf; BDBM50062217
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Yvpsnvgseaf
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL263335; BDBM50062191
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-[6-methoxy-2-(4-methoxy-phenyl)-quinolin-4-yl]-methanol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL330451; BDBM50290555
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
(R)-[2-(3-Amino-phenyl)-6-methoxy-quinolin-4-yl]-(5-ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL89589; BDBM50290554
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Yvptavgseaf
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL414492; BDBM50062222
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(2R)-6-Amino-2-[[(2S)-3-(4-amino-3,5-dibromophenyl)-2-(3-phenylpropanoylamino)propanoyl]amino]-N-(2-phenylethyl)hexanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL197119; BDBM50173481
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|
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| Activity |
IC50 = 196000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 5 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(2S)-6-Amino-2-[[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-2-(4-phenylbutanoylamino)propanoyl]amino]-N-(2-phenylethyl)hexanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL196582; BDBM50173483
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|
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| Activity |
IC50 > 300000 nM
|
[1] | |||
| Compound Name |
(2S)-6-Amino-2-[[(2S)-3-(3,5-dibromo-4-hydroxyphenyl)-2-(4-phenylbutanoylamino)propanoyl]amino]-N-(2-phenylethyl)hexanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL264720; BDBM50173469
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|
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| Activity |
IC50 > 300000 nM
|
[1] | |||
| Compound Name |
(2R)-6-Amino-2-[[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-2-(4-phenylbutanoylamino)propanoyl]amino]-N-(2-phenylethyl)hexanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL381424; BDBM50173470
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|
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| Activity |
IC50 > 300000 nM
|
[1] | |||
| Compound Name |
N-{(S)-2-(4-Amino-3,5-dibromo-phenyl)-1-[(R)-5-amino-1-(4-phenyl-piperazine-1-carbonyl)-pentylcarbamoyl]-ethyl}-4-phenyl-butyramide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL196033; BDBM50173480
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|
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| Activity |
IC50 > 300000 nM
|
[1] | |||
| Compound Name |
N-{(S)-2-(4-Amino-3,5-dibromo-phenyl)-1-[(R)-5-amino-1-(piperazine-1-carbonyl)-pentylcarbamoyl]-ethyl}-4-phenyl-butyramide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL197079; BDBM50173474
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| Activity |
IC50 > 300000 nM
|
[1] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Development of human calcitonin gene-related peptide (CGRP) receptor antagonists. 1. Potent and selective small molecule CGRP antagonists. 1-[N2-[3,5-dibromo-N-[[4-(3,4-dihydro-2(1H)-oxoquinazolin-3-yl)-1-piperidinyl]carbonyl]-D-tyrosyl]-l-lysyl]-4-(4-pyridinyl)piperazine: the first CGRP antagonist for clinical trials in acute migraine. J Med Chem. 2005 Sep 22;48(19):5921-31. | ||||
| REF 2 | From micromolar to nanomolar affinity: a systematic approach to identify the binding site of CGRP at the human calcitonin gene-related peptide 1 receptor. J Med Chem. 1998 Jan 1;41(1):117-23. | ||||
| REF 3 | Quinine analogs as non-peptide calcitonin gene-related peptide (CGRP) receptor antagonists. Bioorg Med Chem Lett. 1997 Oct 21;7(20):2673-6. | ||||
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