BDBM50083254 CHEMBL3423058

SMILES: Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1

InChI Key: InChIKey=DWWCPHPUDHFFPN-NRFANRHFSA-N

Data: 4 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 4 hits for monomerid = 50083254   

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 IX (Homo sapiens (Human))	BDBM50083254 (CHEMBL3423058) Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C26H23ClN6O/c1-16-10-23-24(11-17(16)2)32-25(31-23)21(18-6-4-3-5-7-18)13-28-26(34)20-9-8-19(12-22(20)27)33-14-29-30-15-33/h3-12,14-15,21H,13H2,1-2H3,(H,28,34)(H,31,32)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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 factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay				Bioorg Med Chem Lett 25: 2321-5 (2015) Article DOI: 10.1016/j.bmcl.2015.04.025 BindingDB Entry DOI: 10.7270/Q2BR8TWX
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50083254 (CHEMBL3423058) Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C26H23ClN6O/c1-16-10-23-24(11-17(16)2)32-25(31-23)21(18-6-4-3-5-7-18)13-28-26(34)20-9-8-19(12-22(20)27)33-14-29-30-15-33/h3-12,14-15,21H,13H2,1-2H3,(H,28,34)(H,31,32)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	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) BindingDB Entry DOI: 10.7270/Q20Z753B
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50083254 (CHEMBL3423058) Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C26H23ClN6O/c1-16-10-23-24(11-17(16)2)32-25(31-23)21(18-6-4-3-5-7-18)13-28-26(34)20-9-8-19(12-22(20)27)33-14-29-30-15-33/h3-12,14-15,21H,13H2,1-2H3,(H,28,34)(H,31,32)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	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 factor 10a using n-Acetyl-KPR-AFC as substrate by fluorescence assay				Bioorg Med Chem Lett 25: 2321-5 (2015) Article DOI: 10.1016/j.bmcl.2015.04.025 BindingDB Entry DOI: 10.7270/Q2BR8TWX
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50083254 (CHEMBL3423058) Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C26H23ClN6O/c1-16-10-23-24(11-17(16)2)32-25(31-23)21(18-6-4-3-5-7-18)13-28-26(34)20-9-8-19(12-22(20)27)33-14-29-30-15-33/h3-12,14-15,21H,13H2,1-2H3,(H,28,34)(H,31,32)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	394	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) BindingDB Entry DOI: 10.7270/Q20Z753B
					More data for this Ligand-Target Pair