BDBM50096093 2-(3-Aminomethyl-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid (3-fluoro-2'-methanesulfonyl-biphenyl-4-yl)-amide::CHEMBL422351

SMILES: Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(C)(=O)=O)n(n1)-c1cccc(CN)c1

InChI Key: InChIKey=QUWOWSNMEUHYIY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50096093   

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))	BDBM50096093 (2-(3-Aminomethyl-phenyl)-5-methyl-2H-pyrazole-3-ca...) Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(C)(=O)=O)n(n1)-c1cccc(CN)c1 Show InChI InChI=1S/C25H23FN4O3S/c1-16-12-23(30(29-16)19-7-5-6-17(13-19)15-27)25(31)28-22-11-10-18(14-21(22)26)20-8-3-4-9-24(20)34(2,32)33/h3-14H,15,27H2,1-2H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro activity against rabbit FXa.				J Med Chem 44: 566-78 (2001) BindingDB Entry DOI: 10.7270/Q2RF5VQK
					More data for this Ligand-Target Pair
Trypsin II (Homo sapiens (Human))	BDBM50096093 (2-(3-Aminomethyl-phenyl)-5-methyl-2H-pyrazole-3-ca...) Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(C)(=O)=O)n(n1)-c1cccc(CN)c1 Show InChI InChI=1S/C25H23FN4O3S/c1-16-12-23(30(29-16)19-7-5-6-17(13-19)15-27)25(31)28-22-11-10-18(14-21(22)26)20-8-3-4-9-24(20)34(2,32)33/h3-14H,15,27H2,1-2H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro activity against human trypsin.				J Med Chem 44: 566-78 (2001) BindingDB Entry DOI: 10.7270/Q2RF5VQK
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50096093 (2-(3-Aminomethyl-phenyl)-5-methyl-2H-pyrazole-3-ca...) Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(C)(=O)=O)n(n1)-c1cccc(CN)c1 Show InChI InChI=1S/C25H23FN4O3S/c1-16-12-23(30(29-16)19-7-5-6-17(13-19)15-27)25(31)28-22-11-10-18(14-21(22)26)20-8-3-4-9-24(20)34(2,32)33/h3-14H,15,27H2,1-2H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Binding affinity against human coagulation factor X				J Med Chem 44: 566-78 (2001) BindingDB Entry DOI: 10.7270/Q2RF5VQK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50096093 (2-(3-Aminomethyl-phenyl)-5-methyl-2H-pyrazole-3-ca...) Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(C)(=O)=O)n(n1)-c1cccc(CN)c1 Show InChI InChI=1S/C25H23FN4O3S/c1-16-12-23(30(29-16)19-7-5-6-17(13-19)15-27)25(31)28-22-11-10-18(14-21(22)26)20-8-3-4-9-24(20)34(2,32)33/h3-14H,15,27H2,1-2H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro activity against human thrombin.				J Med Chem 44: 566-78 (2001) BindingDB Entry DOI: 10.7270/Q2RF5VQK
					More data for this Ligand-Target Pair