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BDBM50259139 2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-ol::CHEMBL466470

SMILES: CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(cc2c(=O)[nH]1)-c1ccc(Cl)cc1

InChI Key: InChIKey=OCSOPGWXKAJFIC-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50259139   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50259139
PNG
(2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)...)
Show SMILES CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(cc2c(=O)[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19Cl2N3O/c1-23(2,3)22-27-20-17(21(29)28-22)12-16(13-8-10-14(24)11-9-13)19(26-20)15-6-4-5-7-18(15)25/h4-12H,1-3H3,(H,26,27,28,29)
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PC cid
PC sid
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Article
PubMed
n/an/a 8.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human cannabinoid CB2R expressed in CHO cells


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259139
PNG
(2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)...)
Show SMILES CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(cc2c(=O)[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19Cl2N3O/c1-23(2,3)22-27-20-17(21(29)28-22)12-16(13-8-10-14(24)11-9-13)19(26-20)15-6-4-5-7-18(15)25/h4-12H,1-3H3,(H,26,27,28,29)
PDB

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 7.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair