Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50101528'   

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))	BDBM50101528 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) Show SMILES ONC(=O)C[C@@H](CCCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C31H43N3O4/c35-29(34-38)23-27(19-11-10-16-24-12-4-1-5-13-24)30(36)33-28(22-26-17-8-3-9-18-26)31(37)32-21-20-25-14-6-2-7-15-25/h1-2,4-7,12-15,26-28,38H,3,8-11,16-23H2,(H,32,37)(H,33,36)(H,34,35)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the collagenase enzyme.				Bioorg Med Chem Lett 4: 2741-2746 (1994) Article DOI: 10.1016/S0960-894X(01)80587-4 BindingDB Entry DOI: 10.7270/Q2P84BT0
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50101528 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) Show SMILES ONC(=O)C[C@@H](CCCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C31H43N3O4/c35-29(34-38)23-27(19-11-10-16-24-12-4-1-5-13-24)30(36)33-28(22-26-17-8-3-9-18-26)31(37)32-21-20-25-14-6-2-7-15-25/h1-2,4-7,12-15,26-28,38H,3,8-11,16-23H2,(H,32,37)(H,33,36)(H,34,35)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-1				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair