BDBM50096109 2-(3-Aminomethyl-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid (2'-methanesulfonyl-biphenyl-4-yl)-amide::CHEMBL156775

SMILES: Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(C)(=O)=O)n(n1)-c1cccc(CN)c1

InChI Key: InChIKey=WJIPVTTXLNWLTQ-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 = 50096109   

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
Trypsin II (Homo sapiens (Human))	BDBM50096109 (2-(3-Aminomethyl-phenyl)-5-methyl-2H-pyrazole-3-ca...) Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(C)(=O)=O)n(n1)-c1cccc(CN)c1 Show InChI InChI=1S/C25H24N4O3S/c1-17-14-23(29(28-17)21-7-5-6-18(15-21)16-26)25(30)27-20-12-10-19(11-13-20)22-8-3-4-9-24(22)33(2,31)32/h3-15H,16,26H2,1-2H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	220	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))	BDBM50096109 (2-(3-Aminomethyl-phenyl)-5-methyl-2H-pyrazole-3-ca...) Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(C)(=O)=O)n(n1)-c1cccc(CN)c1 Show InChI InChI=1S/C25H24N4O3S/c1-17-14-23(29(28-17)21-7-5-6-18(15-21)16-26)25(30)27-20-12-10-19(11-13-20)22-8-3-4-9-24(22)33(2,31)32/h3-15H,16,26H2,1-2H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	890	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))	BDBM50096109 (2-(3-Aminomethyl-phenyl)-5-methyl-2H-pyrazole-3-ca...) Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(C)(=O)=O)n(n1)-c1cccc(CN)c1 Show InChI InChI=1S/C25H24N4O3S/c1-17-14-23(29(28-17)21-7-5-6-18(15-21)16-26)25(30)27-20-12-10-19(11-13-20)22-8-3-4-9-24(22)33(2,31)32/h3-15H,16,26H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.10E+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