BDBM50215424 CHEMBL243538::N-((1-aminoisoquinolin-6-yl)methyl)-2-(6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-2-oxopyrazin-1(2H)-yl)acetamide

SMILES: Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(N)nccc2c1

InChI Key: InChIKey=HRYFJQYDZWRTSR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50215424   

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))	BDBM50215424 (CHEMBL243538 | N-((1-aminoisoquinolin-6-yl)methyl)...) Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(N)nccc2c1 Show InChI InChI=1S/C26H26ClN7O2/c27-23-22(17-3-1-4-18(28)12-17)34(26(36)25(33-23)32-19-5-2-6-19)14-21(35)31-13-15-7-8-20-16(11-15)9-10-30-24(20)29/h1,3-4,7-12,19H,2,5-6,13-14,28H2,(H2,29,30)(H,31,35)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of factor 10a				Bioorg Med Chem Lett 17: 4568-74 (2007) Article DOI: 10.1016/j.bmcl.2007.05.090 BindingDB Entry DOI: 10.7270/Q2319VK8
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50215424 (CHEMBL243538 | N-((1-aminoisoquinolin-6-yl)methyl)...) Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(N)nccc2c1 Show InChI InChI=1S/C26H26ClN7O2/c27-23-22(17-3-1-4-18(28)12-17)34(26(36)25(33-23)32-19-5-2-6-19)14-21(35)31-13-15-7-8-20-16(11-15)9-10-30-24(20)29/h1,3-4,7-12,19H,2,5-6,13-14,28H2,(H2,29,30)(H,31,35)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of factor 7a				Bioorg Med Chem Lett 17: 4568-74 (2007) Article DOI: 10.1016/j.bmcl.2007.05.090 BindingDB Entry DOI: 10.7270/Q2319VK8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50215424 (CHEMBL243538 | N-((1-aminoisoquinolin-6-yl)methyl)...) Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(N)nccc2c1 Show InChI InChI=1S/C26H26ClN7O2/c27-23-22(17-3-1-4-18(28)12-17)34(26(36)25(33-23)32-19-5-2-6-19)14-21(35)31-13-15-7-8-20-16(11-15)9-10-30-24(20)29/h1,3-4,7-12,19H,2,5-6,13-14,28H2,(H2,29,30)(H,31,35)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of factor 2a				Bioorg Med Chem Lett 17: 4568-74 (2007) Article DOI: 10.1016/j.bmcl.2007.05.090 BindingDB Entry DOI: 10.7270/Q2319VK8
					More data for this Ligand-Target Pair