BDBM50125963 CHEMBL3627868

SMILES: COc1cc(cc(Cl)c1C(=O)NC[C@H](c1nc2cc(C)c(C)cc2[nH]1)c1ccccc1)-n1cnnc1

InChI Key: InChIKey=HQBXONCZYNQXOV-FQEVSTJZSA-N

Data: 2 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 2 hits for monomerid = 50125963   

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))	BDBM50125963 (CHEMBL3627868) Show SMILES COc1cc(cc(Cl)c1C(=O)NC[C@H](c1nc2cc(C)c(C)cc2[nH]1)c1ccccc1)-n1cnnc1 |r| Show InChI InChI=1S/C27H25ClN6O2/c1-16-9-22-23(10-17(16)2)33-26(32-22)20(18-7-5-4-6-8-18)13-29-27(35)25-21(28)11-19(12-24(25)36-3)34-14-30-31-15-34/h4-12,14-15,20H,13H2,1-3H3,(H,29,35)(H,32,33)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	15	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))	BDBM50125963 (CHEMBL3627868) Show SMILES COc1cc(cc(Cl)c1C(=O)NC[C@H](c1nc2cc(C)c(C)cc2[nH]1)c1ccccc1)-n1cnnc1 |r| Show InChI InChI=1S/C27H25ClN6O2/c1-16-9-22-23(10-17(16)2)33-26(32-22)20(18-7-5-4-6-8-18)13-29-27(35)25-21(28)11-19(12-24(25)36-3)34-14-30-31-15-34/h4-12,14-15,20H,13H2,1-3H3,(H,29,35)(H,32,33)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	245	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