BDBM50135949 2-[2-(Isopropylamino-methyl)-phenyl]-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (3-fluoro-2'-methanesulfonyl-biphenyl-4-yl)-amide::CHEMBL434659

SMILES: CC(C)NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F

InChI Key: InChIKey=QAKHPNPZAZECGG-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 = 50135949   

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))	BDBM50135949 (2-[2-(Isopropylamino-methyl)-phenyl]-5-trifluorome...) Show SMILES CC(C)NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C28H26F4N4O3S/c1-17(2)33-16-19-8-4-6-10-23(19)36-24(15-26(35-36)28(30,31)32)27(37)34-22-13-12-18(14-21(22)29)20-9-5-7-11-25(20)40(3,38)39/h4-15,17,33H,16H2,1-3H3,(H,34,37)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	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))	BDBM50135949 (2-[2-(Isopropylamino-methyl)-phenyl]-5-trifluorome...) Show SMILES CC(C)NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C28H26F4N4O3S/c1-17(2)33-16-19-8-4-6-10-23(19)36-24(15-26(35-36)28(30,31)32)27(37)34-22-13-12-18(14-21(22)29)20-9-5-7-11-25(20)40(3,38)39/h4-15,17,33H,16H2,1-3H3,(H,34,37)	PDB MMDB Reactome pathway KEGG 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))	BDBM50135949 (2-[2-(Isopropylamino-methyl)-phenyl]-5-trifluorome...) Show SMILES CC(C)NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C28H26F4N4O3S/c1-17(2)33-16-19-8-4-6-10-23(19)36-24(15-26(35-36)28(30,31)32)27(37)34-22-13-12-18(14-21(22)29)20-9-5-7-11-25(20)40(3,38)39/h4-15,17,33H,16H2,1-3H3,(H,34,37)	PDB 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