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BDBM50259182 2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine::CHEMBL466883

SMILES: CC(C)(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(nc2n1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=QVFUKBUINZLPLW-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50259182   
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))
BDBM50259182
PNG
(2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophe...)
Show SMILES CC(C)(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(nc2n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H19Cl3N4/c1-23(2,3)22-29-20(27)17-11-16(12-4-6-13(24)7-5-12)19(28-21(17)30-22)15-9-8-14(25)10-18(15)26/h4-11H,1-3H3,(H2,27,28,29,30)
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Article
PubMed
n/an/a 5.20E+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))
BDBM50259182
PNG
(2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophe...)
Show SMILES CC(C)(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(nc2n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H19Cl3N4/c1-23(2,3)22-29-20(27)17-11-16(12-4-6-13(24)7-5-12)19(28-21(17)30-22)15-9-8-14(25)10-18(15)26/h4-11H,1-3H3,(H2,27,28,29,30)
PDB

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 11n/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