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BDBM50302265 (R)-N-(4-(4-(4-cyclopropylpiperazin-1-yl)-1-oxoisoindolin-2-yl)-4-(3,4-dimethoxyphenyl)butyl)-N-methylthiophene-2-sulfonamide::CHEMBL578204

SMILES: COc1ccc(cc1OC)[C@@H](CCCN(C)S(=O)(=O)c1cccs1)N1Cc2c(cccc2N2CCN(CC2)C2CC2)C1=O

InChI Key: InChIKey=WKSXYCNWZUFKAC-HHHXNRCGSA-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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50302265   
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))
BDBM50302265
PNG
((R)-N-(4-(4-(4-cyclopropylpiperazin-1-yl)-1-oxoiso...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCN(C)S(=O)(=O)c1cccs1)N1Cc2c(cccc2N2CCN(CC2)C2CC2)C1=O |r|
Show InChI InChI=1S/C32H40N4O5S2/c1-33(43(38,39)31-10-6-20-42-31)15-5-9-27(23-11-14-29(40-2)30(21-23)41-3)36-22-26-25(32(36)37)7-4-8-28(26)35-18-16-34(17-19-35)24-12-13-24/h4,6-8,10-11,14,20-21,24,27H,5,9,12-13,15-19,22H2,1-3H3/t27-/m1/s1
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Article
PubMed
59n/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))
BDBM50302265
PNG
((R)-N-(4-(4-(4-cyclopropylpiperazin-1-yl)-1-oxoiso...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCN(C)S(=O)(=O)c1cccs1)N1Cc2c(cccc2N2CCN(CC2)C2CC2)C1=O |r|
Show InChI InChI=1S/C32H40N4O5S2/c1-33(43(38,39)31-10-6-20-42-31)15-5-9-27(23-11-14-29(40-2)30(21-23)41-3)36-22-26-25(32(36)37)7-4-8-28(26)35-18-16-34(17-19-35)24-12-13-24/h4,6-8,10-11,14,20-21,24,27H,5,9,12-13,15-19,22H2,1-3H3/t27-/m1/s1
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Article
PubMed
n/an/a 1.20E+3n/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)
BDBM50302265
PNG
((R)-N-(4-(4-(4-cyclopropylpiperazin-1-yl)-1-oxoiso...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCN(C)S(=O)(=O)c1cccs1)N1Cc2c(cccc2N2CCN(CC2)C2CC2)C1=O |r|
Show InChI InChI=1S/C32H40N4O5S2/c1-33(43(38,39)31-10-6-20-42-31)15-5-9-27(23-11-14-29(40-2)30(21-23)41-3)36-22-26-25(32(36)37)7-4-8-28(26)35-18-16-34(17-19-35)24-12-13-24/h4,6-8,10-11,14,20-21,24,27H,5,9,12-13,15-19,22H2,1-3H3/t27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 13n/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