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BDBM50302249 (R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpiperazin-1-yl)-1,3-dioxoisoindolin-2-yl)butyl)thiophene-2-sulfonamide::CHEMBL566433

SMILES: CCN1CCN(CC1)c1cccc2C(=O)N([C@H](CCCNS(=O)(=O)c3cccs3)c3ccc(OC)c(OC)c3)C(=O)c12

InChI Key: InChIKey=ZCTNRDFMOMOCAX-HSZRJFAPSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50302249   
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
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302249
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpipera...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N([C@H](CCCNS(=O)(=O)c3cccs3)c3ccc(OC)c(OC)c3)C(=O)c12 |r|
Show InChI InChI=1S/C30H36N4O6S2/c1-4-32-15-17-33(18-16-32)24-9-5-8-22-28(24)30(36)34(29(22)35)23(21-12-13-25(39-2)26(20-21)40-3)10-6-14-31-42(37,38)27-11-7-19-41-27/h5,7-9,11-13,19-20,23,31H,4,6,10,14-18H2,1-3H3/t23-/m1/s1
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Article
PubMed
35n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin 2 from urotensin 2 receptor in human RMS13 cells by scintillation proximity assay


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302249
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpipera...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N([C@H](CCCNS(=O)(=O)c3cccs3)c3ccc(OC)c(OC)c3)C(=O)c12 |r|
Show InChI InChI=1S/C30H36N4O6S2/c1-4-32-15-17-33(18-16-32)24-9-5-8-22-28(24)30(36)34(29(22)35)23(21-12-13-25(39-2)26(20-21)40-3)10-6-14-31-42(37,38)27-11-7-19-41-27/h5,7-9,11-13,19-20,23,31H,4,6,10,14-18H2,1-3H3/t23-/m1/s1
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at urotensin 2 receptor in human RMS13 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobilization aft...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50302249
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpipera...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N([C@H](CCCNS(=O)(=O)c3cccs3)c3ccc(OC)c(OC)c3)C(=O)c12 |r|
Show InChI InChI=1S/C30H36N4O6S2/c1-4-32-15-17-33(18-16-32)24-9-5-8-22-28(24)30(36)34(29(22)35)23(21-12-13-25(39-2)26(20-21)40-3)10-6-14-31-42(37,38)27-11-7-19-41-27/h5,7-9,11-13,19-20,23,31H,4,6,10,14-18H2,1-3H3/t23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat urotensin 2 receptor expressed in CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair