BDBM50170212 CHEMBL181817::[4-(4-Trifluoromethoxy-phenyl)-thiophene-2-carbonyl]-carbamic acid 4-methyl-cyclohexyl ester

SMILES: CC1CCC(CC1)OC(=O)NC(=O)c1cc(cs1)-c1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=FJPIVKCTLWDBJM-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 = 50170212   

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
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human))	BDBM50170212 (CHEMBL181817 | [4-(4-Trifluoromethoxy-phenyl)-thio...) Show SMILES CC1CCC(CC1)OC(=O)NC(=O)c1cc(cs1)-c1ccc(OC(F)(F)F)cc1 |(-6.29,2.13,;-4.9,1.48,;-4.77,-.05,;-3.37,-.73,;-2.11,.16,;-2.24,1.7,;-3.62,2.36,;-.7,-.5,;.56,.37,;.43,1.92,;1.97,-.28,;2.11,-1.83,;.84,-2.72,;3.52,-2.49,;4.87,-1.76,;6,-2.8,;5.34,-4.18,;3.8,-3.98,;7.52,-2.58,;8.08,-1.15,;9.6,-.91,;10.56,-2.11,;12.09,-1.86,;13.06,-3.05,;13.95,-4.15,;12.73,-4.65,;14.67,-3.07,;10.01,-3.54,;8.48,-3.78,)| Show InChI InChI=1S/C20H20F3NO4S/c1-12-2-6-15(7-3-12)27-19(26)24-18(25)17-10-14(11-29-17)13-4-8-16(9-5-13)28-20(21,22)23/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate				Bioorg Med Chem Lett 15: 3787-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.079 BindingDB Entry DOI: 10.7270/Q2736QFM
					More data for this Ligand-Target Pair