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BDBM50373120 CHEMBL260977::MK-0364

SMILES: C[C@H](NC(=O)C(C)(C)Oc1ccc(C)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N

InChI Key: InChIKey=VAJRTZXSPHHGQS-YADARESESA-N

Data: 2 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 2 hits for monomerid = 50373120   
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))
BDBM50373120
PNG
(CHEMBL260977 | MK-0364)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(C)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C27H28ClN3O2/c1-18-8-13-25(30-17-18)33-27(3,4)26(32)31-19(2)24(15-20-9-11-23(28)12-10-20)22-7-5-6-21(14-22)16-29/h5-14,17,19,24H,15H2,1-4H3,(H,31,32)/t19-,24+/m0/s1
PDB

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UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0940n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR-141716 from human wild type CB1R expressed in CHO cells


J Med Chem 51: 2108-14 (2008)


Article DOI: 10.1021/jm7014974
BindingDB Entry DOI: 10.7270/Q27H1KDR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50373120
PNG
(CHEMBL260977 | MK-0364)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(C)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C27H28ClN3O2/c1-18-8-13-25(30-17-18)33-27(3,4)26(32)31-19(2)24(15-20-9-11-23(28)12-10-20)22-7-5-6-21(14-22)16-29/h5-14,17,19,24H,15H2,1-4H3,(H,31,32)/t19-,24+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.740n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human wild type CB1R expressed in CHO cells


J Med Chem 51: 2108-14 (2008)


Article DOI: 10.1021/jm7014974
BindingDB Entry DOI: 10.7270/Q27H1KDR
More data for this
Ligand-Target Pair