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BDBM50199500 1-(5-((2H-tetrazol-5-yl)carbamoyl)-2,3-dihydro-1H-inden-1-yl)-3-(3,5-bis(trifluoromethyl)phenyl)-1-((1r,4r)-4-tert-butylcyclohexyl)urea::CHEMBL407028

SMILES: CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)Nc1nnn[nH]1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=CQCNJVFXKAWPPK-ZCAYIEKSSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50199500   
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))
BDBM50199500
PNG
(1-(5-((2H-tetrazol-5-yl)carbamoyl)-2,3-dihydro-1H-...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)Nc1nnn[nH]1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:11.11,wU:7.10,wD:4.3,(23.02,-20.02,;23.03,-18.49,;24.57,-18.49,;21.49,-18.48,;23.04,-16.95,;24.37,-16.18,;24.38,-14.63,;23.06,-13.87,;21.71,-14.64,;21.71,-16.17,;23.05,-12.33,;24.39,-11.56,;24.71,-10.06,;26.57,-10.09,;27.04,-11.55,;28.38,-12.31,;28.38,-13.86,;27.05,-14.63,;25.71,-13.86,;25.72,-12.33,;29.72,-14.63,;29.72,-16.17,;31.05,-13.85,;32.38,-14.62,;32.55,-16.15,;34.06,-16.47,;34.82,-15.13,;33.79,-13.99,;21.72,-11.56,;21.72,-10.02,;20.39,-12.33,;19.05,-11.56,;19.05,-10.01,;17.71,-9.25,;16.38,-10.02,;16.38,-11.56,;17.71,-12.33,;15.04,-12.33,;13.71,-13.09,;14.28,-11,;15.81,-13.67,;17.7,-7.71,;17.68,-6.16,;19.24,-7.7,;16.16,-7.73,)|
Show InChI InChI=1S/C30H33F6N7O2/c1-28(2,3)18-6-8-22(9-7-18)43(27(45)37-21-14-19(29(31,32)33)13-20(15-21)30(34,35)36)24-11-5-16-12-17(4-10-23(16)24)25(44)38-26-39-41-42-40-26/h4,10,12-15,18,22,24H,5-9,11H2,1-3H3,(H,37,45)(H2,38,39,40,41,42,44)/t18-,22-,24?
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n/an/a 4.26E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIP receptor transfected in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50199500
PNG
(1-(5-((2H-tetrazol-5-yl)carbamoyl)-2,3-dihydro-1H-...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)Nc1nnn[nH]1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:11.11,wU:7.10,wD:4.3,(23.02,-20.02,;23.03,-18.49,;24.57,-18.49,;21.49,-18.48,;23.04,-16.95,;24.37,-16.18,;24.38,-14.63,;23.06,-13.87,;21.71,-14.64,;21.71,-16.17,;23.05,-12.33,;24.39,-11.56,;24.71,-10.06,;26.57,-10.09,;27.04,-11.55,;28.38,-12.31,;28.38,-13.86,;27.05,-14.63,;25.71,-13.86,;25.72,-12.33,;29.72,-14.63,;29.72,-16.17,;31.05,-13.85,;32.38,-14.62,;32.55,-16.15,;34.06,-16.47,;34.82,-15.13,;33.79,-13.99,;21.72,-11.56,;21.72,-10.02,;20.39,-12.33,;19.05,-11.56,;19.05,-10.01,;17.71,-9.25,;16.38,-10.02,;16.38,-11.56,;17.71,-12.33,;15.04,-12.33,;13.71,-13.09,;14.28,-11,;15.81,-13.67,;17.7,-7.71,;17.68,-6.16,;19.24,-7.7,;16.16,-7.73,)|
Show InChI InChI=1S/C30H33F6N7O2/c1-28(2,3)18-6-8-22(9-7-18)43(27(45)37-21-14-19(29(31,32)33)13-20(15-21)30(34,35)36)24-11-5-16-12-17(4-10-23(16)24)25(44)38-26-39-41-42-40-26/h4,10,12-15,18,22,24H,5-9,11H2,1-3H3,(H,37,45)(H2,38,39,40,41,42,44)/t18-,22-,24?
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n/an/a 7.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125]glucagon from human glucagon receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50199500
PNG
(1-(5-((2H-tetrazol-5-yl)carbamoyl)-2,3-dihydro-1H-...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)Nc1nnn[nH]1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:11.11,wU:7.10,wD:4.3,(23.02,-20.02,;23.03,-18.49,;24.57,-18.49,;21.49,-18.48,;23.04,-16.95,;24.37,-16.18,;24.38,-14.63,;23.06,-13.87,;21.71,-14.64,;21.71,-16.17,;23.05,-12.33,;24.39,-11.56,;24.71,-10.06,;26.57,-10.09,;27.04,-11.55,;28.38,-12.31,;28.38,-13.86,;27.05,-14.63,;25.71,-13.86,;25.72,-12.33,;29.72,-14.63,;29.72,-16.17,;31.05,-13.85,;32.38,-14.62,;32.55,-16.15,;34.06,-16.47,;34.82,-15.13,;33.79,-13.99,;21.72,-11.56,;21.72,-10.02,;20.39,-12.33,;19.05,-11.56,;19.05,-10.01,;17.71,-9.25,;16.38,-10.02,;16.38,-11.56,;17.71,-12.33,;15.04,-12.33,;13.71,-13.09,;14.28,-11,;15.81,-13.67,;17.7,-7.71,;17.68,-6.16,;19.24,-7.7,;16.16,-7.73,)|
Show InChI InChI=1S/C30H33F6N7O2/c1-28(2,3)18-6-8-22(9-7-18)43(27(45)37-21-14-19(29(31,32)33)13-20(15-21)30(34,35)36)24-11-5-16-12-17(4-10-23(16)24)25(44)38-26-39-41-42-40-26/h4,10,12-15,18,22,24H,5-9,11H2,1-3H3,(H,37,45)(H2,38,39,40,41,42,44)/t18-,22-,24?
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PubMed
n/an/a 61n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human glucagon receptor transfected in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation


Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
More data for this
Ligand-Target Pair