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SMILES: CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccc(OC)cc3cc2C1=O)C(O)=O

InChI Key: InChIKey=RKPZBJWTTSNTOI-PKTNWEFCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50040615   
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))		BDBM50040615
PNG
((R)-4-(6-Methoxy-1,3-dioxo-1,3-dihydro-benzo[f]iso...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccc(OC)cc3cc2C1=O)C(O)=O
Show InChI InChI=1S/C33H38N4O7/c1-19(2)14-27(30(39)36-28(29(38)34-3)15-20-8-6-5-7-9-20)35-26(33(42)43)12-13-37-31(40)24-17-21-10-11-23(44-4)16-22(21)18-25(24)32(37)41/h5-11,16-19,26-28,35H,12-15H2,1-4H3,(H,34,38)(H,36,39)(H,42,43)/t26-,27+,28+/m1/s1
PDB
MMDB

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PubMed
n/an/a 36n/an/an/an/an/an/a



Glaxo Incorporated Research Institute

Curated by ChEMBL


Assay Description
Activity against human collagenase (MMP-1).

J Med Chem 37: 674-88 (1994)


BindingDB Entry DOI: 10.7270/Q2RV0MRC
More data for this
Ligand-Target Pair