BDBM50223829 CHEMBL10045

SMILES: Clc1ccc(Sc2ccc(CNC3=NCCN3)cc2)cc1

InChI Key: InChIKey=GGANPOIMMZVOPC-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 = 50223829   

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))	BDBM50223829 (CHEMBL10045) Show SMILES Clc1ccc(Sc2ccc(CNC3=NCCN3)cc2)cc1 |t:12| Show InChI InChI=1S/C16H16ClN3S/c17-13-3-7-15(8-4-13)21-14-5-1-12(2-6-14)11-20-16-18-9-10-19-16/h1-8H,9-11H2,(H2,18,19,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	501	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