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BDBM50302250 (R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpiperazin-1-yl)-1,3-dioxoisoindolin-2-yl)butyl)thiophene-2-sulfonamide::CHEMBL567736

SMILES: COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)C(C)C)c2C1=O

InChI Key: InChIKey=IFBYVMFECJDESG-XMMPIXPASA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50302250   
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))
BDBM50302250
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpi...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)C(C)C)c2C1=O
Show InChI InChI=1S/C31H38N4O6S2/c1-21(2)33-15-17-34(18-16-33)25-9-5-8-23-29(25)31(37)35(30(23)36)24(22-12-13-26(40-3)27(20-22)41-4)10-6-14-32-43(38,39)28-11-7-19-42-28/h5,7-9,11-13,19-21,24,32H,6,10,14-18H2,1-4H3/t24-/m1/s1
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CHEMBL
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PC sid
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Article
PubMed
45n/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))
BDBM50302250
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpi...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)C(C)C)c2C1=O
Show InChI InChI=1S/C31H38N4O6S2/c1-21(2)33-15-17-34(18-16-33)25-9-5-8-23-29(25)31(37)35(30(23)36)24(22-12-13-26(40-3)27(20-22)41-4)10-6-14-32-43(38,39)28-11-7-19-42-28/h5,7-9,11-13,19-21,24,32H,6,10,14-18H2,1-4H3/t24-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem

Patents


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)
BDBM50302250
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpi...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)C(C)C)c2C1=O
Show InChI InChI=1S/C31H38N4O6S2/c1-21(2)33-15-17-34(18-16-33)25-9-5-8-23-29(25)31(37)35(30(23)36)24(22-12-13-26(40-3)27(20-22)41-4)10-6-14-32-43(38,39)28-11-7-19-42-28/h5,7-9,11-13,19-21,24,32H,6,10,14-18H2,1-4H3/t24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.5n/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