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BDBM50325576 3-butyl-4-(3-fluorophenyl)-N-(2-(4-fluorophenyl)propan-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamide::CHEMBL1223590

SMILES: CCCCC1=NN(CC1c1cccc(F)c1)C(=O)NC(C)(C)c1ccc(F)cc1

InChI Key: InChIKey=IMCVTIXYEXGOHH-UHFFFAOYSA-N

Data: 2 KI

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 = 50325576   
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))
BDBM50325576
PNG
(3-butyl-4-(3-fluorophenyl)-N-(2-(4-fluorophenyl)pr...)
Show SMILES CCCCC1=NN(CC1c1cccc(F)c1)C(=O)NC(C)(C)c1ccc(F)cc1 |t:4|
Show InChI InChI=1S/C23H27F2N3O/c1-4-5-9-21-20(16-7-6-8-19(25)14-16)15-28(27-21)22(29)26-23(2,3)17-10-12-18(24)13-11-17/h6-8,10-14,20H,4-5,9,15H2,1-3H3,(H,26,29)
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PC cid
PC sid
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Article
PubMed
44.9n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325576
PNG
(3-butyl-4-(3-fluorophenyl)-N-(2-(4-fluorophenyl)pr...)
Show SMILES CCCCC1=NN(CC1c1cccc(F)c1)C(=O)NC(C)(C)c1ccc(F)cc1 |t:4|
Show InChI InChI=1S/C23H27F2N3O/c1-4-5-9-21-20(16-7-6-8-19(25)14-16)15-28(27-21)22(29)26-23(2,3)17-10-12-18(24)13-11-17/h6-8,10-14,20H,4-5,9,15H2,1-3H3,(H,26,29)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
74n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair