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SMILES: COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N(CCCN1CCN(C)CC1)Cc1ccccc1

InChI Key: InChIKey=RTLIFYHBQGTFTA-HKBQPEDESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50418394   
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))		BDBM50418394
PNG
(CHEMBL1773860)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N(CCCN1CCN(C)CC1)Cc1ccccc1 |r|
Show InChI InChI=1S/C34H52N4O4S/c1-26-23-32(42-5)27(2)28(3)33(26)43(40,41)35-31(24-29-13-8-6-9-14-29)34(39)38(25-30-15-10-7-11-16-30)18-12-17-37-21-19-36(4)20-22-37/h7,10-11,15-16,23,29,31,35H,6,8-9,12-14,17-22,24-25H2,1-5H3/t31-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 148n/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