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SMILES: CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(C)C)[C@H](S)CC(=O)OC

InChI Key: InChIKey=RXFIBNVNUQIYSK-YTQUADARSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50043237   
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))		BDBM50043237
PNG
(4-[2-(1H-Indol-3-yl)-1-methylcarbamoyl-ethylcarbam...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(C)C)[C@H](S)CC(=O)OC
Show InChI InChI=1S/C22H31N3O4S/c1-13(2)9-16(19(30)11-20(26)29-4)21(27)25-18(22(28)23-3)10-14-12-24-17-8-6-5-7-15(14)17/h5-8,12-13,16,18-19,24,30H,9-11H2,1-4H3,(H,23,28)(H,25,27)/t16-,18-,19+/m0/s1
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MMDB

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PubMed
n/an/a 12n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 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