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BDBM50306230 4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-fluorobenzyl)-1H-pyrazole-3-carboxamide::CHEMBL595946

SMILES: NC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NCc1ccc(F)cc1

InChI Key: InChIKey=ILPZCGQJSUUWOC-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50306230   
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))
BDBM50306230
PNG
(4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-c...)
Show SMILES NC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C25H20Cl2FN5O/c26-17-9-7-16(8-10-17)24-19(13-22(29)30)23(32-33(24)21-4-2-1-3-20(21)27)25(34)31-14-15-5-11-18(28)12-6-15/h1-12H,13-14H2,(H3,29,30)(H,31,34)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.790n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306230
PNG
(4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-c...)
Show SMILES NC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C25H20Cl2FN5O/c26-17-9-7-16(8-10-17)24-19(13-22(29)30)23(32-33(24)21-4-2-1-3-20(21)27)25(34)31-14-15-5-11-18(28)12-6-15/h1-12H,13-14H2,(H3,29,30)(H,31,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair