BDBM50333937 CHEMBL1644426::trans-4-((5-fluoro-4-(4-(trifluoromethoxy)phenyl)thiophene-2-carboxamido)methyl)cyclohexanecarboxylic acid

SMILES: OC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(c(F)s2)-c2ccc(OC(F)(F)F)cc2)CC1

InChI Key: InChIKey=LRWQFBOGOQUNGX-AULYBMBSSA-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 = 50333937   

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
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50333937 (CHEMBL1644426 | trans-4-((5-fluoro-4-(4-(trifluoro...) Show SMILES OC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(c(F)s2)-c2ccc(OC(F)(F)F)cc2)CC1 |r,wU:3.2,wD:6.6,(34.59,-15.9,;33.25,-15.15,;33.23,-13.61,;31.92,-15.94,;31.94,-17.48,;30.62,-18.26,;29.28,-17.5,;27.96,-18.29,;26.62,-17.54,;25.29,-18.33,;25.32,-19.87,;23.95,-17.58,;23.46,-16.12,;21.92,-16.14,;21.46,-17.61,;19.99,-18.09,;22.71,-18.5,;21.12,-14.82,;21.87,-13.47,;21.07,-12.16,;19.53,-12.19,;18.73,-10.87,;17.19,-10.91,;16.39,-9.59,;16.45,-12.26,;15.66,-10.75,;18.79,-13.55,;19.59,-14.86,;29.25,-15.97,;30.58,-15.18,)| Show InChI InChI=1S/C20H19F4NO4S/c21-17-15(12-5-7-14(8-6-12)29-20(22,23)24)9-16(30-17)18(26)25-10-11-1-3-13(4-2-11)19(27)28/h5-9,11,13H,1-4,10H2,(H,25,26)(H,27,28)/t11-,13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Evotec OAI Curated by ChEMBL					Assay Description Inhibition of MMP-12 catalytic domain				Bioorg Med Chem Lett 21: 528-30 (2010) Article DOI: 10.1016/j.bmcl.2010.10.087 BindingDB Entry DOI: 10.7270/Q2NC61G8
					More data for this Ligand-Target Pair