BDBM50305830 4-((5-(2-(3-fluorobenzylcarbamoyl)pyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid::4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid::CHEMBL593034

SMILES: OC(=O)c1ccc(Cn2nnc(n2)-c2ccnc(c2)C(=O)NCc2cccc(F)c2)cc1

InChI Key: InChIKey=VMAHZFWSXKJIIT-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50305830   

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))	BDBM50305830 (4-((5-(2-(3-fluorobenzylcarbamoyl)pyridin-4-yl)-2H...) Show SMILES OC(=O)c1ccc(Cn2nnc(n2)-c2ccnc(c2)C(=O)NCc2cccc(F)c2)cc1 Show InChI InChI=1S/C22H17FN6O3/c23-18-3-1-2-15(10-18)12-25-21(30)19-11-17(8-9-24-19)20-26-28-29(27-20)13-14-4-6-16(7-5-14)22(31)32/h1-11H,12-13H2,(H,25,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	76	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				3D Structure (crystal)