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BDBM50202031 3-(4-((1-(4-cyclohexenylphenyl)-3-(3,5-dichlorophenyl)ureido)methyl)benzamido)propanoic acid::3-{4-[1-(4-Cyclohex-1-enylphenyl)-3-(3,5-dichlorophenyl)ureidomethyl]benzoylamino}propionicacid::CHEMBL386446

SMILES: OC(=O)CCNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(cc2)C2=CCCCC2)cc1

InChI Key: InChIKey=VHURVYZHODPCCB-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50202031   
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
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50202031
PNG
(3-(4-((1-(4-cyclohexenylphenyl)-3-(3,5-dichlorophe...)
Show SMILES OC(=O)CCNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(cc2)C2=CCCCC2)cc1 |t:33|
Show InChI InChI=1S/C30H29Cl2N3O4/c31-24-16-25(32)18-26(17-24)34-30(39)35(27-12-10-22(11-13-27)21-4-2-1-3-5-21)19-20-6-8-23(9-7-20)29(38)33-15-14-28(36)37/h4,6-13,16-18H,1-3,5,14-15,19H2,(H,33,38)(H,34,39)(H,36,37)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of GLP1 receptor


J Med Chem 50: 113-28 (2007)


Article DOI: 10.1021/jm058026u
BindingDB Entry DOI: 10.7270/Q26M36GK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50202031
PNG
(3-(4-((1-(4-cyclohexenylphenyl)-3-(3,5-dichlorophe...)
Show SMILES OC(=O)CCNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(cc2)C2=CCCCC2)cc1 |t:33|
Show InChI InChI=1S/C30H29Cl2N3O4/c31-24-16-25(32)18-26(17-24)34-30(39)35(27-12-10-22(11-13-27)21-4-2-1-3-5-21)19-20-6-8-23(9-7-20)29(38)33-15-14-28(36)37/h4,6-13,16-18H,1-3,5,14-15,19H2,(H,33,38)(H,34,39)(H,36,37)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity to human cloned GLP1R 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


(Rattus norvegicus)
BDBM50202031
PNG
(3-(4-((1-(4-cyclohexenylphenyl)-3-(3,5-dichlorophe...)
Show SMILES OC(=O)CCNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(cc2)C2=CCCCC2)cc1 |t:33|
Show InChI InChI=1S/C30H29Cl2N3O4/c31-24-16-25(32)18-26(17-24)34-30(39)35(27-12-10-22(11-13-27)21-4-2-1-3-5-21)19-20-6-8-23(9-7-20)29(38)33-15-14-28(36)37/h4,6-13,16-18H,1-3,5,14-15,19H2,(H,33,38)(H,34,39)(H,36,37)
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n/an/a 122n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of rat glucagon receptor


J Med Chem 50: 113-28 (2007)


Article DOI: 10.1021/jm058026u
BindingDB Entry DOI: 10.7270/Q26M36GK
More data for this
Ligand-Target Pair
Gastric inhibitory polypeptide receptor


(Rattus norvegicus)
BDBM50202031
PNG
(3-(4-((1-(4-cyclohexenylphenyl)-3-(3,5-dichlorophe...)
Show SMILES OC(=O)CCNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(cc2)C2=CCCCC2)cc1 |t:33|
Show InChI InChI=1S/C30H29Cl2N3O4/c31-24-16-25(32)18-26(17-24)34-30(39)35(27-12-10-22(11-13-27)21-4-2-1-3-5-21)19-20-6-8-23(9-7-20)29(38)33-15-14-28(36)37/h4,6-13,16-18H,1-3,5,14-15,19H2,(H,33,38)(H,34,39)(H,36,37)
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n/an/a 216n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity to GIPR in rat liver membrane


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))
BDBM50202031
PNG
(3-(4-((1-(4-cyclohexenylphenyl)-3-(3,5-dichlorophe...)
Show SMILES OC(=O)CCNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(cc2)C2=CCCCC2)cc1 |t:33|
Show InChI InChI=1S/C30H29Cl2N3O4/c31-24-16-25(32)18-26(17-24)34-30(39)35(27-12-10-22(11-13-27)21-4-2-1-3-5-21)19-20-6-8-23(9-7-20)29(38)33-15-14-28(36)37/h4,6-13,16-18H,1-3,5,14-15,19H2,(H,33,38)(H,34,39)(H,36,37)
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n/an/a 12n/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
Gastric inhibitory polypeptide receptor


(Homo sapiens (Human))
BDBM50202031
PNG
(3-(4-((1-(4-cyclohexenylphenyl)-3-(3,5-dichlorophe...)
Show SMILES OC(=O)CCNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(cc2)C2=CCCCC2)cc1 |t:33|
Show InChI InChI=1S/C30H29Cl2N3O4/c31-24-16-25(32)18-26(17-24)34-30(39)35(27-12-10-22(11-13-27)21-4-2-1-3-5-21)19-20-6-8-23(9-7-20)29(38)33-15-14-28(36)37/h4,6-13,16-18H,1-3,5,14-15,19H2,(H,33,38)(H,34,39)(H,36,37)
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n/an/a 64n/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


(Rattus norvegicus)
BDBM50202031
PNG
(3-(4-((1-(4-cyclohexenylphenyl)-3-(3,5-dichlorophe...)
Show SMILES OC(=O)CCNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(cc2)C2=CCCCC2)cc1 |t:33|
Show InChI InChI=1S/C30H29Cl2N3O4/c31-24-16-25(32)18-26(17-24)34-30(39)35(27-12-10-22(11-13-27)21-4-2-1-3-5-21)19-20-6-8-23(9-7-20)29(38)33-15-14-28(36)37/h4,6-13,16-18H,1-3,5,14-15,19H2,(H,33,38)(H,34,39)(H,36,37)
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n/an/a 36n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity to GlucR in rat liver membrane


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))
BDBM50202031
PNG
(3-(4-((1-(4-cyclohexenylphenyl)-3-(3,5-dichlorophe...)
Show SMILES OC(=O)CCNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(cc2)C2=CCCCC2)cc1 |t:33|
Show InChI InChI=1S/C30H29Cl2N3O4/c31-24-16-25(32)18-26(17-24)34-30(39)35(27-12-10-22(11-13-27)21-4-2-1-3-5-21)19-20-6-8-23(9-7-20)29(38)33-15-14-28(36)37/h4,6-13,16-18H,1-3,5,14-15,19H2,(H,33,38)(H,34,39)(H,36,37)
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Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of human cloned glucagon receptor expressed in BHK cells


J Med Chem 50: 113-28 (2007)


Article DOI: 10.1021/jm058026u
BindingDB Entry DOI: 10.7270/Q26M36GK
More data for this
Ligand-Target Pair