BDBM50223838 CHEMBL9398

SMILES: COc1cccc(Sc2ccc(NC3=NCCN3)cc2)c1

InChI Key: InChIKey=ZNFYGSFZBWVQHF-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 = 50223838   

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
Prostanoid IP receptor (Homo sapiens (Human))	BDBM50223838 (CHEMBL9398) Show SMILES COc1cccc(Sc2ccc(NC3=NCCN3)cc2)c1 |t:13| Show InChI InChI=1S/C16H17N3OS/c1-20-13-3-2-4-15(11-13)21-14-7-5-12(6-8-14)19-16-17-9-10-18-16/h2-8,11H,9-10H2,1H3,(H2,17,18,19)	NCI pathway Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	398	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