BDBM50325344 (R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)-5-ethylnicotinamide::CHEMBL1223353

SMILES: CCc1cncc(c1)C(=O)NCc1cccc(c1)-c1ccc(o1)C(=O)N[C@H](C1CCCCC1)C(=O)NC

InChI Key: InChIKey=CSSYENOYWSXNTO-AREMUKBSSA-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 = 50325344   

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))	BDBM50325344 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CCc1cncc(c1)C(=O)NCc1cccc(c1)-c1ccc(o1)C(=O)N[C@H](C1CCCCC1)C(=O)NC |r| Show InChI InChI=1S/C29H34N4O4/c1-3-19-14-23(18-31-16-19)27(34)32-17-20-8-7-11-22(15-20)24-12-13-25(37-24)28(35)33-26(29(36)30-2)21-9-5-4-6-10-21/h7-8,11-16,18,21,26H,3-6,9-10,17H2,1-2H3,(H,30,36)(H,32,34)(H,33,35)/t26-/m1/s1	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair