Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50272433'   

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))	BDBM50272433 ((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...) Show SMILES C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NCC=C)C(=O)CO |r,c:11,t:7| Show InChI InChI=1S/C26H34FNO6/c1-5-10-28-22(33)34-26(21(32)14-29)15(2)11-19-18-7-6-16-12-17(30)8-9-23(16,3)25(18,27)20(31)13-24(19,26)4/h5,8-9,12,15,18-20,29,31H,1,6-7,10-11,13-14H2,2-4H3,(H,28,33)/t15-,18-,19-,20-,23-,24-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	39	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA				Bioorg Med Chem 16: 7535-42 (2008) Article DOI: 10.1016/j.bmc.2008.07.037 BindingDB Entry DOI: 10.7270/Q2CC10HX
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