BDBM50211582 (R)-N-[(4-carbamimidoyl-benzylcarbamoyl)-methyl]-4-(1-oxy-pyridin-2-yl)-2-phenylmethanesulfonylamino-butyramide::CHEMBL395719

SMILES: NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CCc2cccc[n+]2[O-])NS(=O)(=O)Cc2ccccc2)cc1

InChI Key: InChIKey=ZXIZUNRFGBZCHV-HSZRJFAPSA-N

Data: 2 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 2 hits for monomerid = 50211582   

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))	BDBM50211582 ((R)-N-[(4-carbamimidoyl-benzylcarbamoyl)-methyl]-4...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CCc2cccc[n+]2[O-])NS(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C26H30N6O5S/c27-25(28)21-11-9-19(10-12-21)16-29-24(33)17-30-26(34)23(14-13-22-8-4-5-15-32(22)35)31-38(36,37)18-20-6-2-1-3-7-20/h1-12,15,23,31H,13-14,16-18H2,(H3,27,28)(H,29,33)(H,30,34)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Discovery GmbH Curated by ChEMBL					Assay Description Inhibition of factor 10a				Bioorg Med Chem Lett 17: 3322-9 (2007) Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50211582 ((R)-N-[(4-carbamimidoyl-benzylcarbamoyl)-methyl]-4...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CCc2cccc[n+]2[O-])NS(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C26H30N6O5S/c27-25(28)21-11-9-19(10-12-21)16-29-24(33)17-30-26(34)23(14-13-22-8-4-5-15-32(22)35)31-38(36,37)18-20-6-2-1-3-7-20/h1-12,15,23,31H,13-14,16-18H2,(H3,27,28)(H,29,33)(H,30,34)/t23-/m1/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Discovery GmbH Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 17: 3322-9 (2007) Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K
					More data for this Ligand-Target Pair