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SMILES: CN1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)CC1

InChI Key: InChIKey=ONIJYHFPJCZMOI-PMERELPUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50418389   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50418389
PNG
(CHEMBL1773994)
Show SMILES CN1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C32H39ClN4O2/c1-35-19-21-36(22-20-35)17-8-18-37(25-28-11-6-3-7-12-28)32(39)30(23-27-13-15-29(33)16-14-27)34-31(38)24-26-9-4-2-5-10-26/h2-7,9-16,30H,8,17-25H2,1H3,(H,34,38)/t30-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 170n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells

Bioorg Med Chem Lett 21: 3163-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0
More data for this
Ligand-Target Pair