BDBM50194285 3-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahydropyrimidin-5-yloxy)phenoxy)phenyl)oxazol-4-yl)benzonitrile::CHEMBL374770

SMILES: COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(c3)C#N)cc2)C(=O)NC(=O)NC1=O

InChI Key: InChIKey=JFTXMXVXCKLYHG-UHFFFAOYSA-N

Data: 1 IC50

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 = 50194285   

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))	BDBM50194285 (3-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahy...) Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(c3)C#N)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H22N4O7/c1-37-14-13-29(26(34)32-28(36)33-27(29)35)40-23-11-9-22(10-12-23)39-21-7-5-19(6-8-21)25-31-24(17-38-25)20-4-2-3-18(15-20)16-30/h2-12,15,17H,13-14H2,1H3,(H2,32,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair