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BDBM50320474 (7R)-7-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)-7,8,9,10,11,11a-hexahydro-5H-azepino[2,1-a]isoindol-5-one::CHEMBL1165145

SMILES: CCN1CCN(CC1)c1cccc2C(=O)N3[C@H](CCCC[C@@H]3c3ccc(OC)c(OC)c3)c12

InChI Key: InChIKey=WAKCRMRPYXATKS-FYYLOGMGSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50320474   
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
UTS2R


(RAT)		BDBM50320474
PNG
((7R)-7-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N3[C@H](CCCC[C@@H]3c3ccc(OC)c(OC)c3)c12 |r|
Show InChI InChI=1S/C27H35N3O3/c1-4-28-14-16-29(17-15-28)22-11-7-8-20-26(22)23-10-6-5-9-21(30(23)27(20)31)19-12-13-24(32-2)25(18-19)33-3/h7-8,11-13,18,21,23H,4-6,9-10,14-17H2,1-3H3/t21-,23-/m1/s1
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Article
PubMed
 34n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at rat urotensin 2 receptor expressed in CHO cells assessed as calcium mobilization by FLIPR

J Med Chem 53: 2695-708 (2010)


Article DOI: 10.1021/jm901294u
BindingDB Entry DOI: 10.7270/Q20G3K9N
More data for this
Ligand-Target Pair