BDBM50083245 CHEMBL3423033

SMILES: Cc1cc2nc(CCNC(=O)c3ccc(cc3)-n3cnnc3)[nH]c2cc1C

InChI Key: InChIKey=QNOXZLGNUKPKFJ-UHFFFAOYSA-N

Data: 2 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50083245   

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))	BDBM50083245 (CHEMBL3423033) Show SMILES Cc1cc2nc(CCNC(=O)c3ccc(cc3)-n3cnnc3)[nH]c2cc1C Show InChI InChI=1S/C20H20N6O/c1-13-9-17-18(10-14(13)2)25-19(24-17)7-8-21-20(27)15-3-5-16(6-4-15)26-11-22-23-12-26/h3-6,9-12H,7-8H2,1-2H3,(H,21,27)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	9.00E+3	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				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50083245 (CHEMBL3423033) Show SMILES Cc1cc2nc(CCNC(=O)c3ccc(cc3)-n3cnnc3)[nH]c2cc1C Show InChI InChI=1S/C20H20N6O/c1-13-9-17-18(10-14(13)2)25-19(24-17)7-8-21-20(27)15-3-5-16(6-4-15)26-11-22-23-12-26/h3-6,9-12H,7-8H2,1-2H3,(H,21,27)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>6.25E+4	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