BDBM50223870 CHEMBL9441

SMILES: CSc1ccc(NC2=NCCN2)cc1

InChI Key: InChIKey=RHTGPDGIQRRWHO-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 2 hits for monomerid = 50223870   

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))	BDBM50223870 (CHEMBL9441) Show SMILES CSc1ccc(NC2=NCCN2)cc1 |t:7| Show InChI InChI=1S/C10H13N3S/c1-14-9-4-2-8(3-5-9)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H2,11,12,13)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	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
Adrenergic receptor alpha-2 (Homo sapiens (Human))	BDBM50223870 (CHEMBL9441) Show SMILES CSc1ccc(NC2=NCCN2)cc1 |t:7| Show InChI InChI=1S/C10H13N3S/c1-14-9-4-2-8(3-5-9)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H2,11,12,13)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.53E+4	n/a	n/a	n/a	n/a
University of Dublin Curated by ChEMBL					Assay Description Agonist activity at human brain adrenergic alpha2 receptor by [35S]GTPgammaS binding assay				J Med Chem 50: 4516-27 (2007) Article DOI: 10.1021/jm070229q BindingDB Entry DOI: 10.7270/Q2571FSN
					More data for this Ligand-Target Pair