BDBM50325839 CHEMBL1223696::N-(cyclopropylmethyl)-2-(4-oxo-2-phenyl-6-(3-(piperazin-1-yl)propoxy)quinazolin-3(4H)-yl)acetamide

SMILES: O=C(Cn1c(nc2ccc(OCCCN3CCNCC3)cc2c1=O)-c1ccccc1)NCC1CC1

InChI Key: InChIKey=YMFZWHPPFHPHFO-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 = 50325839   

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 V1b receptor (Homo sapiens (Human))	BDBM50325839 (CHEMBL1223696 | N-(cyclopropylmethyl)-2-(4-oxo-2-p...) Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCNCC3)cc2c1=O)-c1ccccc1)NCC1CC1 Show InChI InChI=1S/C27H33N5O3/c33-25(29-18-20-7-8-20)19-32-26(21-5-2-1-3-6-21)30-24-10-9-22(17-23(24)27(32)34)35-16-4-13-31-14-11-28-12-15-31/h1-3,5-6,9-10,17,20,28H,4,7-8,11-16,18-19H2,(H,29,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 5394-7 (2010) Article DOI: 10.1016/j.bmcl.2010.07.118 BindingDB Entry DOI: 10.7270/Q2222TZ5
					More data for this Ligand-Target Pair