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BDBM50418400 CHEMBL1773996

SMILES: CCN(CCCN1CCN(C)CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C

InChI Key: InChIKey=PHARLRFXLAGEPK-SANMLTNESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50418400   
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))		BDBM50418400
PNG
(CHEMBL1773996)
Show SMILES CCN(CCCN1CCN(C)CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C |r|
Show InChI InChI=1S/C29H43ClN4O4S/c1-7-34(14-8-13-33-17-15-32(5)16-18-33)29(35)26(20-24-9-11-25(30)12-10-24)31-39(36,37)28-21(2)19-27(38-6)22(3)23(28)4/h9-12,19,26,31H,7-8,13-18,20H2,1-6H3/t26-/m0/s1
PDB

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 56.2n/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