null

SMILES: CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)OCc1ccccc1

InChI Key: InChIKey=WERWZTHMXLHHDB-SGNDLWITSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50043224   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Interstitial collagenase (Homo sapiens (Human))	BDBM50043224 (3-Mercapto-4-[2-(4-methoxy-phenyl)-1-methylcarbamo...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)OCc1ccccc1 Show InChI InChI=1S/C27H36N2O5S/c1-18(2)14-22(24(35)16-25(30)34-17-20-8-6-5-7-9-20)26(31)29-23(27(32)28-3)15-19-10-12-21(33-4)13-11-19/h5-13,18,22-24,35H,14-17H2,1-4H3,(H,28,32)(H,29,31)/t22-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat skin type I collagen degradation by purified human lung fibroblast collagenase without beta-mercaptoethanol				J Med Chem 36: 4030-9 (1994) BindingDB Entry DOI: 10.7270/Q2028QM3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50043224 (3-Mercapto-4-[2-(4-methoxy-phenyl)-1-methylcarbamo...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)OCc1ccccc1 Show InChI InChI=1S/C27H36N2O5S/c1-18(2)14-22(24(35)16-25(30)34-17-20-8-6-5-7-9-20)26(31)29-23(27(32)28-3)15-19-10-12-21(33-4)13-11-19/h5-13,18,22-24,35H,14-17H2,1-4H3,(H,28,32)(H,29,31)/t22-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/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