BDBM50354908 CHEMBL1837036

SMILES: CN1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccccc2C1

InChI Key: InChIKey=FMXWVYWEWRLGDS-UHFFFAOYSA-N

Data: 1 IC50

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 = 50354908   

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
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50354908 (CHEMBL1837036) Show SMILES CN1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccccc2C1 Show InChI InChI=1S/C21H24N6/c1-25-14-17-6-2-3-7-18(17)27-20(15-25)23-24-21(27)16-9-12-26(13-10-16)19-8-4-5-11-22-19/h2-8,11,16H,9-10,12-15H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	272	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...				Bioorg Med Chem Lett 21: 5684-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.038 BindingDB Entry DOI: 10.7270/Q2TB179T
					More data for this Ligand-Target Pair