BDBM50240490 CHEMBL4103170

SMILES: Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-c1ncccn1

InChI Key: InChIKey=KEBDKOMVVMMYGA-GFCCVEGCSA-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 = 50240490   

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))	BDBM50240490 (CHEMBL4103170) Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-c1ncccn1 |r| Show InChI InChI=1S/C21H17Cl2N7O2/c22-14-8-11(19-25-5-1-6-26-19)2-3-13(14)21(31)28-12-4-7-30(10-12)20-17-16(15(23)9-27-20)18(24)29-32-17/h1-3,5-6,8-9,12H,4,7,10H2,(H2,24,29)(H,28,31)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mochida Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 27: 2622-2628 (2017) Article DOI: 10.1016/j.bmcl.2017.03.002 BindingDB Entry DOI: 10.7270/Q28054RH
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50240490 (CHEMBL4103170) Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-c1ncccn1 |r| Show InChI InChI=1S/C21H17Cl2N7O2/c22-14-8-11(19-25-5-1-6-26-19)2-3-13(14)21(31)28-12-4-7-30(10-12)20-17-16(15(23)9-27-20)18(24)29-32-17/h1-3,5-6,8-9,12H,4,7,10H2,(H2,24,29)(H,28,31)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Mochida Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin at pH 7.4				Bioorg Med Chem Lett 27: 2622-2628 (2017) Article DOI: 10.1016/j.bmcl.2017.03.002 BindingDB Entry DOI: 10.7270/Q28054RH
					More data for this Ligand-Target Pair