Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50076367'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Interstitial collagenase (Homo sapiens (Human))	BDBM50076367 (1-[(S)-1-(4-Fluoro-benzyl)-2-oxo-2-(4-pyridin-2-yl...) Show SMILES Fc1ccc(C[C@H](NC(=O)Nc2nnc(S)s2)C(=O)N2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C21H22FN7O2S2/c22-15-6-4-14(5-7-15)13-16(24-19(31)25-20-26-27-21(32)33-20)18(30)29-11-9-28(10-12-29)17-3-1-2-8-23-17/h1-8,16H,9-13H2,(H,27,32)(H2,24,25,26,31)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn Curated by ChEMBL					Assay Description Binding affinity for matrix metalloproteinase-1				J Med Chem 42: 1525-36 (1999) Article DOI: 10.1021/jm9803222 BindingDB Entry DOI: 10.7270/Q2C828G4
					More data for this Ligand-Target Pair