Target Poor or Non Binder(s) Information

Target General Information

Target ID

T09128

Target Info

Target Name

Caspase-2 (CASP2)

Synonyms

Protease ICH1; Protease ICH-1; Neural precursor cell expressed developmentally downregulated protein 2; Neural precursor cell expressed developmentally down-regulated protein 2; NEDD2; NEDD-2; ICH1; Caspase2 subunit p12; CASP-2

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Target Type

Patented-recorded Target

Gene Name

CASP2

Biochemical Class

Peptidase

UniProt ID

P42575

Poor Binders of This Target (in total, 15 binders)

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Compound Name

5-(pyrrolidin-1-ylsulfonyl)indoline-2,3-dione

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Investigative

Compound Info

Synonyms

5-(pyrrolidin-1-ylsulfonyl)indoline-2,3-dione; 220510-17-8; 5-(Pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione; Isatin Sulfonamide 20; 5-pyrrolidinylsulfonylisatin; AC1N3S5K; 5-pyrrolidin-1-ylsulfonyl-1H-indole-2,3-dione; SCHEMBL2486952; CHEMBL305545; BDBM10309; DTXSID80399500; QKCWUYHXHMXOLG-UHFFFAOYSA-N; ZINC2944777; 5-[1-(pyrrolidinyl)sulfonyl]isatin; 2991AJ; AKOS024262065; AJ-44312; 5-(Pyrrolizinosulfonyl)indoline-2,3-dione; AX8291337; FT-0734877; 5-(Pyrrolidin-1-ylsulfonyl)-1H-indole-2,3-dione

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Activity

Ki ~ 50000 nM

[1]

Compound Name

casp 4 inhib

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Investigative

Compound Info

Synonyms

5-nitro-isatin 1 [PMID: 11384246]

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Activity

Ki ~ 50000 nM

[1]

Compound Name

(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[(2S,3S)-3-butan-2-yloxy-2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL1835313; BDBM50355090

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Activity

IC50 ~ 50000 nM

[2]

Compound Name

(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[(2S,3R)-2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-3-phenylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL1835318; BDBM50355095

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Activity

IC50 = 50000 nM

[2]

Compound Name

N,N'-Bis(3-aminopropyl)ethylenediamine

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Investigative

Compound Info

Synonyms

1,5,8,12-Tetraazadodecane; N1,N1'-(Ethane-1,2-diyl)bis(propane-1,3-diamine); 1,3-Propanediamine, N,N''-1,2-ethanediylbis-; 3,2,3-tetramine; N,N'-Bis(3-aminopropyl)-1,2-diaminoethane; 1,2-Bis(3-aminopropylamino)ethane; N,N'-Di(3-aminopropyl)-1,2-ethylenediamine; N,N'-Bis(gamma-aminopropyl)diaminoethane; 1,3-Propanediamine, N,N''-ethylenebis-; UNII-0EXW8894XX; NSC180823; N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine; 0EXW8894XX; CHEMBL259148; N,N'-Bis(3-aminopropyl)-1,2-ethylenediamine; N,N''-ethylenebis-1,3-propanediamine; N,N'-Bis(3-aminopropyl)-1,2-ethanediamine; N,N''-1,2-ethanediylbis-1,3-propanediamine; 1,3-Propanediamine, N1,N1'-1,2-ethanediylbis-; N(1'),N(3)-ethane-1,2-diyldipropane-1,3-diamine; 1,2-Bis(3-aminopropylamino)ethane, 96%; EINECS 234-147-9; n,n-bis(3-aminopropyl)ethylenediamine; NSC 180823; C8H22N4; MFCD00008210; 1,8,12-Tetraazadodecane; 1, N,N''-ethylenebis-; EC 234-147-9; SCHEMBL20976; BIDD:GT0255; ACMC-2098h5; 1,5,8, 12-Tetraazadodecane; DTXSID2065127; 1,10-diamino-4,7-diazadecane; CTK3J0439; 1, N,N''-1,2-ethanediylbis-; 1271AA; ANW-15255; BDBM50376458; ZINC19366676; AKOS015894471; CS-W017488; LS40357; NSC-180823; N, N'-Bis(3-aminopropyl)ethylenediamine; SC-73662; 1,2-Bis(3-aminopropylamino)ethane, purum; DB-040641; FT-0629418; N,N'-Di(3-aminopropyl)-1, 2-ethylenediamine; 1, 3-Propanediamine, N,N''-1,2-ethanediylbis-; N1,N1'-(ethane-1,2-diyl)dipropane-1,3-diamine; W-110279; Q27120355; (3-aminopropyl)({2-[(3-aminopropyl)amino]ethyl})amine; 1,2-Bis(3-aminopropylamino)ethane, technical grade, 94%; N~1~-(2-((3-Aminopropyl)amino)ethyl)-1,3-propanediamine

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Activity

EC50 = 50000 nM

[3]

Compound Name

2,2-Diphenyl-N'-(2,7,8-trimethylquinolin-4-yl)acetohydrazide

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Investigative

Compound Info

Synonyms

CHEMBL262596; CBMicro_034501; CCG-3252; ZINC3187016; BDBM50376461; AKOS001037793; MCULE-4282578736; BIM-0034459.P001

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Activity

EC50 = 50000 nM

[3]

Compound Name

(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[(2S,3S)-2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-3-propan-2-yloxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL1835323; BDBM50355100

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Activity

IC50 = 52800 nM

[2]

Compound Name

Inhibitor 66b

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Investigative

Compound Info

Synonyms

Thiophene Scaffold 66b; BDBM226; CHEMBL146453

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Activity

Ki = 64000 nM

[4]

Compound Name

(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[(2S,3R)-2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-3-(4-methylphenyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL1835319; BDBM50355096

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Activity

IC50 ~ 65000 nM

[2]

Compound Name

N-Decylbutanamide

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Investigative

Compound Info

Synonyms

CHEMBL265439; N-decylbutyramide; SCHEMBL9795571; BDBM50376462; AKOS003850581

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Activity

EC50 = 66000 nM

[3]

Compound Name

(E,3S)-3-[[(2S)-1-[(2R)-2-[(4-Amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-methylsulfonylpent-4-enoic acid

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Investigative

Compound Info

Synonyms

CHEMBL2323966; BDBM50426564

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Activity

IC50 ~ 100000 nM

[5]

Compound Name

(E,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-3-Carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-phenylacetyl]amino]-3-methylbutanoyl]amino]-6-ethoxy-6-oxohex-4-enoic acid

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Investigative

Compound Info

Synonyms

CHEMBL2324341; SCHEMBL15462686; BDBM50426566

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Activity

IC50 ~ 100000 nM

[5]

Compound Name

(E,3S)-3-[[(2S,3S)-2-[[(2S)-5-Amino-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-5-methylsulfonylpent-4-enoic acid

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Investigative

Compound Info

Synonyms

CHEMBL2324340; BDBM50426565

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Activity

IC50 ~ 100000 nM

[5]

Compound Name

(E,3S)-3-[[(2S,3S)-2-[[(2S)-5-Amino-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-5-methylsulfonylpent-4-enoic acid

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Investigative

Compound Info

Synonyms

CHEMBL2324339; BDBM50426562

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Activity

IC50 ~ 100000 nM

[5]

Compound Name

(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL1835400; BDBM50355104

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Activity

IC50 ~ 100000 nM

[2]

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References

Top

REF 1

Potent and selective nonpeptide inhibitors of caspases 3 and 7. J Med Chem. 2001 Jun 7;44(12):2015-26.

REF 2

Exploiting differences in caspase-2 and -3 S1 subsites for selectivity: structure-based design, solid-phase synthesis and in vitro activity of novel substrate-based caspase-2 inhibitors. Bioorg Med Chem. 2011 Oct 1;19(19):5833-51.

REF 3

Identification of promiscuous small molecule activators in high-throughput enzyme activation screens. J Med Chem. 2008 Apr 24;51(8):2346-9.

REF 4

Identification of potent and selective small-molecule inhibitors of caspase-3 through the use of extended tethering and structure-based drug design. J Med Chem. 2002 Nov 7;45(23):5005-22.

REF 5

Irreversible inhibitors of cysteine proteases. ACS Med Chem Lett. 2013 Jan 28;4(2):163-4.

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