BDBM50223861 CHEMBL9552

SMILES: CCOc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1

InChI Key: InChIKey=QAHSEJULLHLLNG-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50223861   

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
Prostacyclin receptor (Homo sapiens (Human))	BDBM50223861 (CHEMBL9552) Show SMILES CCOc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:13| Show InChI InChI=1S/C17H19N3OS/c1-2-21-14-5-9-16(10-6-14)22-15-7-3-13(4-8-15)20-17-18-11-12-19-17/h3-10H,2,11-12H2,1H3,(H2,18,19,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Binding affinity towards prostacyclin receptor on rat NG-108-15 neuroblastoma cells, using [3H]iloprost as a radioligand				Bioorg Med Chem Lett 14: 1053-6 (2004) BindingDB Entry DOI: 10.7270/Q2M90BVN
					More data for this Ligand-Target Pair