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BDBM50302245 CHEMBL569689::N-((R)-4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)butyl)methanesulfonamide

SMILES: COc1ccc(cc1OC)[C@@H](CCCNS(C)(=O)=O)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O

InChI Key: InChIKey=CTJVAFHXNBYPPI-YIXXDRMTSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50302245   
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))
BDBM50302245
PNG
(CHEMBL569689 | N-((R)-4-(3,4-dimethoxyphenyl)-4-(1...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(C)(=O)=O)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1S/C33H40N4O6S/c1-23(24-10-6-5-7-11-24)35-18-20-36(21-19-35)28-13-8-12-26-31(28)33(39)37(32(26)38)27(14-9-17-34-44(4,40)41)25-15-16-29(42-2)30(22-25)43-3/h5-8,10-13,15-16,22-23,27,34H,9,14,17-21H2,1-4H3/t23-,27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40E+3n/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
UTS2R


(RAT)
BDBM50302245
PNG
(CHEMBL569689 | N-((R)-4-(3,4-dimethoxyphenyl)-4-(1...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNS(C)(=O)=O)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1S/C33H40N4O6S/c1-23(24-10-6-5-7-11-24)35-18-20-36(21-19-35)28-13-8-12-26-31(28)33(39)37(32(26)38)27(14-9-17-34-44(4,40)41)25-15-16-29(42-2)30(22-25)43-3/h5-8,10-13,15-16,22-23,27,34H,9,14,17-21H2,1-4H3/t23-,27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/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