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SMILES: CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(N)=O

InChI Key: InChIKey=CVVQDESVICJNGB-IKGGRYGDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50043238   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Interstitial collagenase


(Homo sapiens (Human))		BDBM50043238
PNG
(2-Isobutyl-3-mercapto-pentanedioic acid 5-amide 1-...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(N)=O
Show InChI InChI=1S/C20H31N3O4S/c1-12(2)9-15(17(28)11-18(21)24)19(25)23-16(20(26)22-3)10-13-5-7-14(27-4)8-6-13/h5-8,12,15-17,28H,9-11H2,1-4H3,(H2,21,24)(H,22,26)(H,23,25)/t15-,16+,17+/m1/s1
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MMDB

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n/an/a 23n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.

J Med Chem 36: 4030-9 (1994)


BindingDB Entry DOI: 10.7270/Q2028QM3
More data for this
Ligand-Target Pair