BDBM50240484 CHEMBL4085322::US9969724, Example 1

SMILES: Nc1noc2c(cccc12)N1CCC(C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1

InChI Key: InChIKey=CIZGMOQTMITLCC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50240484   

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))	BDBM50240484 (CHEMBL4085322 | US9969724, Example 1) Show SMILES Nc1noc2c(cccc12)N1CCC(C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1 Show InChI InChI=1S/C20H18ClN7O2/c21-16-8-13(28-10-23-24-11-28)4-5-14(16)20(29)25-12-6-7-27(9-12)17-3-1-2-15-18(17)30-26-19(15)22/h1-5,8,10-12H,6-7,9H2,(H2,22,26)(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	98	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
Coagulation factor IX (Homo sapiens (Human))	BDBM50240484 (CHEMBL4085322 | US9969724, Example 1) Show SMILES Nc1noc2c(cccc12)N1CCC(C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1 Show InChI InChI=1S/C20H18ClN7O2/c21-16-8-13(28-10-23-24-11-28)4-5-14(16)20(29)25-12-6-7-27(9-12)17-3-1-2-15-18(17)30-26-19(15)22/h1-5,8,10-12H,6-7,9H2,(H2,22,26)(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9969724 (2018) BindingDB Entry DOI: 10.7270/Q2WQ063R
					More data for this Ligand-Target Pair
Thrombin and coagulation factor X (Homo sapiens (Human))	BDBM50240484 (CHEMBL4085322 | US9969724, Example 1) Show SMILES Nc1noc2c(cccc12)N1CCC(C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1 Show InChI InChI=1S/C20H18ClN7O2/c21-16-8-13(28-10-23-24-11-28)4-5-14(16)20(29)25-12-6-7-27(9-12)17-3-1-2-15-18(17)30-26-19(15)22/h1-5,8,10-12H,6-7,9H2,(H2,22,26)(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL MMDB 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 Inhibition of human coagulation factor 10a				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