BDBM50305831 4-((5-(2-(3,4-difluorobenzylcarbamoyl)pyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid::CHEMBL596083

SMILES: OC(=O)c1ccc(Cn2nnc(n2)-c2ccnc(c2)C(=O)NCc2ccc(F)c(F)c2)cc1

InChI Key: InChIKey=SPWCOBSWFOORCI-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50305831   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50305831 (4-((5-(2-(3,4-difluorobenzylcarbamoyl)pyridin-4-yl...) Show SMILES OC(=O)c1ccc(Cn2nnc(n2)-c2ccnc(c2)C(=O)NCc2ccc(F)c(F)c2)cc1 Show InChI InChI=1S/C22H16F2N6O3/c23-17-6-3-14(9-18(17)24)11-26-21(31)19-10-16(7-8-25-19)20-27-29-30(28-20)12-13-1-4-15(5-2-13)22(32)33/h1-10H,11-12H2,(H,26,31)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs				Bioorg Med Chem Lett 20: 576-80 (2010) Article DOI: 10.1016/j.bmcl.2009.11.081 BindingDB Entry DOI: 10.7270/Q2JS9QHB
					More data for this Ligand-Target Pair