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BDBM50245101 (R)-3-{4-[1-(4-Cyclohexylphenyl)-3-(3-methylthio)phenyl-ureidomethyl]benzoylamino}-2-hydroxypropionic acid::CHEMBL528775

SMILES: CSc1cccc(NC(=O)N(Cc2ccc(cc2)C(=O)NC[C@@H](O)C(O)=O)c2ccc(cc2)C2CCCCC2)c1

InChI Key: InChIKey=SYWXLIGCTNVJDM-MUUNZHRXSA-N

Data: 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 2 hits for monomerid = 50245101   
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
Gastric inhibitory polypeptide receptor


(Homo sapiens (Human))
BDBM50245101
PNG
((R)-3-{4-[1-(4-Cyclohexylphenyl)-3-(3-methylthio)p...)
Show SMILES CSc1cccc(NC(=O)N(Cc2ccc(cc2)C(=O)NC[C@@H](O)C(O)=O)c2ccc(cc2)C2CCCCC2)c1 |r|
Show InChI InChI=1S/C31H35N3O5S/c1-40-27-9-5-8-25(18-27)33-31(39)34(26-16-14-23(15-17-26)22-6-3-2-4-7-22)20-21-10-12-24(13-11-21)29(36)32-19-28(35)30(37)38/h5,8-18,22,28,35H,2-4,6-7,19-20H2,1H3,(H,32,36)(H,33,39)(H,37,38)/t28-/m1/s1
PDB
MMDB

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KEGG

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KEGG
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PC sid
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Similars

Article
PubMed
n/an/a 411n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity to human cloned GIPR expressed in BHK cells


J Med Chem 51: 5387-96 (2008)


Article DOI: 10.1021/jm7015599
BindingDB Entry DOI: 10.7270/Q2X34X9R
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50245101
PNG
((R)-3-{4-[1-(4-Cyclohexylphenyl)-3-(3-methylthio)p...)
Show SMILES CSc1cccc(NC(=O)N(Cc2ccc(cc2)C(=O)NC[C@@H](O)C(O)=O)c2ccc(cc2)C2CCCCC2)c1 |r|
Show InChI InChI=1S/C31H35N3O5S/c1-40-27-9-5-8-25(18-27)33-31(39)34(26-16-14-23(15-17-26)22-6-3-2-4-7-22)20-21-10-12-24(13-11-21)29(36)32-19-28(35)30(37)38/h5,8-18,22,28,35H,2-4,6-7,19-20H2,1H3,(H,32,36)(H,33,39)(H,37,38)/t28-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity to human cloned GluR expressed in BHK cells


J Med Chem 51: 5387-96 (2008)


Article DOI: 10.1021/jm7015599
BindingDB Entry DOI: 10.7270/Q2X34X9R
More data for this
Ligand-Target Pair