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BDBM50302264 (R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpiperazin-1-yl)-1-oxoisoindolin-2-yl)butyl)-N-methylthiophene-2-sulfonamide::CHEMBL578203

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

InChI Key: InChIKey=HNHVMPSSZUKSGA-HHHXNRCGSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50302264   
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))
BDBM50302264
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpi...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCN(C)S(=O)(=O)c1cccs1)N1Cc2c(cccc2N2CCN(CC2)C(C)C)C1=O
Show InChI InChI=1S/C32H42N4O5S2/c1-23(2)34-16-18-35(19-17-34)28-10-6-9-25-26(28)22-36(32(25)37)27(24-13-14-29(40-4)30(21-24)41-5)11-7-15-33(3)43(38,39)31-12-8-20-42-31/h6,8-10,12-14,20-21,23,27H,7,11,15-19,22H2,1-5H3/t27-/m1/s1
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Article
PubMed
11n/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))
BDBM50302264
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpi...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCN(C)S(=O)(=O)c1cccs1)N1Cc2c(cccc2N2CCN(CC2)C(C)C)C1=O
Show InChI InChI=1S/C32H42N4O5S2/c1-23(2)34-16-18-35(19-17-34)28-10-6-9-25-26(28)22-36(32(25)37)27(24-13-14-29(40-4)30(21-24)41-5)11-7-15-33(3)43(38,39)31-12-8-20-42-31/h6,8-10,12-14,20-21,23,27H,7,11,15-19,22H2,1-5H3/t27-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 500n/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)
BDBM50302264
PNG
((R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpi...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCN(C)S(=O)(=O)c1cccs1)N1Cc2c(cccc2N2CCN(CC2)C(C)C)C1=O
Show InChI InChI=1S/C32H42N4O5S2/c1-23(2)34-16-18-35(19-17-34)28-10-6-9-25-26(28)22-36(32(25)37)27(24-13-14-29(40-4)30(21-24)41-5)11-7-15-33(3)43(38,39)31-12-8-20-42-31/h6,8-10,12-14,20-21,23,27H,7,11,15-19,22H2,1-5H3/t27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/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