BDBM50354906 CHEMBL1837030

SMILES: COc1ccc-2c(COCc3nnc(C4CCN(CC4)c4ccccn4)n-23)c1

InChI Key: InChIKey=GETBWECATPKZGG-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 = 50354906   

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))	BDBM50354906 (CHEMBL1837030) Show SMILES COc1ccc-2c(COCc3nnc(C4CCN(CC4)c4ccccn4)n-23)c1 Show InChI InChI=1S/C21H23N5O2/c1-27-17-5-6-18-16(12-17)13-28-14-20-23-24-21(26(18)20)15-7-10-25(11-8-15)19-4-2-3-9-22-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	135	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