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BDBM50316533 CHEMBL1097795::N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-yl]-1H-indazole-4-carboxamide

SMILES: CC1(C)C[C@@H](NC(=O)c2cccc3[nH]ncc23)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=AOKUIPSHLAAXQK-AREMUKBSSA-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 = 50316533   
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 1


(Homo sapiens (Human))
BDBM50316533
PNG
(CHEMBL1097795 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES CC1(C)C[C@@H](NC(=O)c2cccc3[nH]ncc23)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C30H23Cl3N4O2/c1-30(2)14-26(35-28(38)19-4-3-5-25-23(19)15-34-37-25)22-13-21(16-6-8-17(31)9-7-16)27(36-29(22)39-30)20-11-10-18(32)12-24(20)33/h3-13,15,26H,14H2,1-2H3,(H,34,37)(H,35,38)/t26-/m1/s1
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PC cid
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50316533
PNG
(CHEMBL1097795 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES CC1(C)C[C@@H](NC(=O)c2cccc3[nH]ncc23)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C30H23Cl3N4O2/c1-30(2)14-26(35-28(38)19-4-3-5-25-23(19)15-34-37-25)22-13-21(16-6-8-17(31)9-7-16)27(36-29(22)39-30)20-11-10-18(32)12-24(20)33/h3-13,15,26H,14H2,1-2H3,(H,34,37)(H,35,38)/t26-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50316533
PNG
(CHEMBL1097795 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES CC1(C)C[C@@H](NC(=O)c2cccc3[nH]ncc23)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C30H23Cl3N4O2/c1-30(2)14-26(35-28(38)19-4-3-5-25-23(19)15-34-37-25)22-13-21(16-6-8-17(31)9-7-16)27(36-29(22)39-30)20-11-10-18(32)12-24(20)33/h3-13,15,26H,14H2,1-2H3,(H,34,37)(H,35,38)/t26-/m1/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant cannabinoid CB2 receptor expressed in CHO cells


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair