BDBM50235522 CHEMBL556575::CHEMBL566355::N-(4-carbamimidoylbenzyl)-2-(4-methyl-2-oxo-1-(phenylsulfonamido)-1,2-dihydropyridin-3-yl)acetamide hydrochloride

SMILES: Cc1ccn(NS(=O)(=O)c2ccccc2)c(=O)c1CC(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=WADXKPCYWYBIBN-UHFFFAOYSA-N

Data: 2 IC50

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 = 50235522   

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
Prothrombin (Homo sapiens (Human))	BDBM50235522 (CHEMBL556575 | CHEMBL566355 | N-(4-carbamimidoylbe...) Show SMILES Cc1ccn(NS(=O)(=O)c2ccccc2)c(=O)c1CC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C22H23N5O4S/c1-15-11-12-27(26-32(30,31)18-5-3-2-4-6-18)22(29)19(15)13-20(28)25-14-16-7-9-17(10-8-16)21(23)24/h2-12,26H,13-14H2,1H3,(H3,23,24)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 18: 1972-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.122 BindingDB Entry DOI: 10.7270/Q2833SV0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50235522 (CHEMBL556575 | CHEMBL566355 | N-(4-carbamimidoylbe...) Show SMILES Cc1ccn(NS(=O)(=O)c2ccccc2)c(=O)c1CC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C22H23N5O4S/c1-15-11-12-27(26-32(30,31)18-5-3-2-4-6-18)22(29)19(15)13-20(28)25-14-16-7-9-17(10-8-16)21(23)24/h2-12,26H,13-14H2,1H3,(H3,23,24)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Inhibition of human thrombin				Bioorg Med Chem Lett 19: 5429-32 (2009) Article DOI: 10.1016/j.bmcl.2009.07.107 BindingDB Entry DOI: 10.7270/Q2MP53BQ
					More data for this Ligand-Target Pair