BDBM50135942 2-[2-(2-Amino-ethyl)-phenyl]-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (3-fluoro-2'-methanesulfonyl-biphenyl-4-yl)-amide::CHEMBL423759

SMILES: CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CCN)C(F)(F)F)c(F)c1

InChI Key: InChIKey=SMYLEWDHZPISRT-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50135942   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50135942 (2-[2-(2-Amino-ethyl)-phenyl]-5-trifluoromethyl-2H-...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CCN)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C26H22F4N4O3S/c1-38(36,37)23-9-5-3-7-18(23)17-10-11-20(19(27)14-17)32-25(35)22-15-24(26(28,29)30)33-34(22)21-8-4-2-6-16(21)12-13-31/h2-11,14-15H,12-13,31H2,1H3,(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested in vitro for inhibition of human Coagulation factor X				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50135942 (2-[2-(2-Amino-ethyl)-phenyl]-5-trifluoromethyl-2H-...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CCN)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C26H22F4N4O3S/c1-38(36,37)23-9-5-3-7-18(23)17-10-11-20(19(27)14-17)32-25(35)22-15-24(26(28,29)30)33-34(22)21-8-4-2-6-16(21)12-13-31/h2-11,14-15H,12-13,31H2,1H3,(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested in vitro for inhibition of human trypsin				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50135942 (2-[2-(2-Amino-ethyl)-phenyl]-5-trifluoromethyl-2H-...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccccc2CCN)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C26H22F4N4O3S/c1-38(36,37)23-9-5-3-7-18(23)17-10-11-20(19(27)14-17)32-25(35)22-15-24(26(28,29)30)33-34(22)21-8-4-2-6-16(21)12-13-31/h2-11,14-15H,12-13,31H2,1H3,(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro for inhibition of human thrombin				J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2
					More data for this Ligand-Target Pair