BDBM50325343 (R)-2-chloro-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)isonicotinamide::CHEMBL1223354

SMILES: CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(Cl)c2)c1)C1CCCCC1

InChI Key: InChIKey=YBMWZGDSDMFQPD-XMMPIXPASA-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 = 50325343   

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))	BDBM50325343 ((R)-2-chloro-N-(3-(5-(1-cyclohexyl-2-(methylamino)...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(Cl)c2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H29ClN4O4/c1-29-27(35)24(18-7-3-2-4-8-18)32-26(34)22-11-10-21(36-22)19-9-5-6-17(14-19)16-31-25(33)20-12-13-30-23(28)15-20/h5-6,9-15,18,24H,2-4,7-8,16H2,1H3,(H,29,35)(H,31,33)(H,32,34)/t24-/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	27	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