BDBM50223847 CHEMBL275233

SMILES: COc1ccc(Sc2cccc(NC3=NCCN3)c2)cc1

InChI Key: InChIKey=YQSSCTHQPKXIAI-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 = 50223847   

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))	BDBM50223847 (CHEMBL275233) Show SMILES COc1ccc(Sc2cccc(NC3=NCCN3)c2)cc1 |t:13| Show InChI InChI=1S/C16H17N3OS/c1-20-13-5-7-14(8-6-13)21-15-4-2-3-12(11-15)19-16-17-9-10-18-16/h2-8,11H,9-10H2,1H3,(H2,17,18,19)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.98E+3	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