Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 484.9 BDBM50125965

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor IX (Homo sapiens (Human))	BDBM50125965 (CHEMBL3627866) Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1c(C)cc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C27H25ClN6O/c1-16-10-23-24(11-17(16)2)33-26(32-23)21(19-7-5-4-6-8-19)13-29-27(35)25-18(3)9-20(12-22(25)28)34-14-30-31-15-34/h4-12,14-15,21H,13H2,1-3H3,(H,29,35)(H,32,33)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate				Bioorg Med Chem Lett 25: 4945-9 (2015) Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50125965 (CHEMBL3627866) Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1c(C)cc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C27H25ClN6O/c1-16-10-23-24(11-17(16)2)33-26(32-23)21(19-7-5-4-6-8-19)13-29-27(35)25-18(3)9-20(12-22(25)28)34-14-30-31-15-34/h4-12,14-15,21H,13H2,1-3H3,(H,29,35)(H,32,33)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate				Bioorg Med Chem Lett 25: 4945-9 (2015) Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B
					More data for this Ligand-Target Pair