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BDBM50298943 CHEMBL578848::N-(Adamant-1-yl)1-(3,4-dichlorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide

SMILES: Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=HBYVKAXKMOLOJA-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 = 50298943   
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))
BDBM50298943
PNG
(CHEMBL578848 | N-(Adamant-1-yl)1-(3,4-dichlorophen...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25.24.29:27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C25H26Cl2N4O/c1-15-22(23(32)28-25-12-16-8-17(13-25)10-18(9-16)14-25)29-31(24(15)30-6-2-3-7-30)19-4-5-20(26)21(27)11-19/h2-7,11,16-18H,8-10,12-14H2,1H3,(H,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
20n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298943
PNG
(CHEMBL578848 | N-(Adamant-1-yl)1-(3,4-dichlorophen...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25.24.29:27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C25H26Cl2N4O/c1-15-22(23(32)28-25-12-16-8-17(13-25)10-18(9-16)14-25)29-31(24(15)30-6-2-3-7-30)19-4-5-20(26)21(27)11-19/h2-7,11,16-18H,8-10,12-14H2,1H3,(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
31n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair