BindingDB logo
myBDB logout

BDBM76083 (6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-(2-morpholin-4-ylethoxy)cyclohexa-2,4-dien-1-one::(6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-[2-(4-morpholinyl)ethoxy]-1-cyclohexa-2,4-dienone::(6Z)-6-[4-(4-chlorophenyl)-5-methyl-3-pyrazolin-3-ylidene]-3-(2-morpholinoethoxy)cyclohexa-2,4-dien-1-one::MLS-0437222.0001::cid_17584942

SMILES: Cc1[nH]nc(c1-c1ccc(Cl)cc1)-c1ccc(OCCN2CCOCC2)cc1O

InChI Key: InChIKey=UGNGPGLEEKDEHQ-UHFFFAOYSA-N

Data: 4 IC50  3 EC50

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 7 hits for monomerid = 76083   
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))
BDBM76083
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES Cc1[nH]nc(c1-c1ccc(Cl)cc1)-c1ccc(OCCN2CCOCC2)cc1O
Show InChI InChI=1S/C22H24ClN3O3/c1-15-21(16-2-4-17(23)5-3-16)22(25-24-15)19-7-6-18(14-20(19)27)29-13-10-26-8-11-28-12-9-26/h2-7,14,27H,8-13H2,1H3,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2348HTX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM76083
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES Cc1[nH]nc(c1-c1ccc(Cl)cc1)-c1ccc(OCCN2CCOCC2)cc1O
Show InChI InChI=1S/C22H24ClN3O3/c1-15-21(16-2-4-17(23)5-3-16)22(25-24-15)19-7-6-18(14-20(19)27)29-13-10-26-8-11-28-12-9-26/h2-7,14,27H,8-13H2,1H3,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.91E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC81B1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM76083
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES Cc1[nH]nc(c1-c1ccc(Cl)cc1)-c1ccc(OCCN2CCOCC2)cc1O
Show InChI InChI=1S/C22H24ClN3O3/c1-15-21(16-2-4-17(23)5-3-16)22(25-24-15)19-7-6-18(14-20(19)27)29-13-10-26-8-11-28-12-9-26/h2-7,14,27H,8-13H2,1H3,(H,24,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TM78KV
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM76083
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES Cc1[nH]nc(c1-c1ccc(Cl)cc1)-c1ccc(OCCN2CCOCC2)cc1O
Show InChI InChI=1S/C22H24ClN3O3/c1-15-21(16-2-4-17(23)5-3-16)22(25-24-15)19-7-6-18(14-20(19)27)29-13-10-26-8-11-28-12-9-26/h2-7,14,27H,8-13H2,1H3,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.92E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics(SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM76083
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES Cc1[nH]nc(c1-c1ccc(Cl)cc1)-c1ccc(OCCN2CCOCC2)cc1O
Show InChI InChI=1S/C22H24ClN3O3/c1-15-21(16-2-4-17(23)5-3-16)22(25-24-15)19-7-6-18(14-20(19)27)29-13-10-26-8-11-28-12-9-26/h2-7,14,27H,8-13H2,1H3,(H,24,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.11E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K35S3P
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM76083
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES Cc1[nH]nc(c1-c1ccc(Cl)cc1)-c1ccc(OCCN2CCOCC2)cc1O
Show InChI InChI=1S/C22H24ClN3O3/c1-15-21(16-2-4-17(23)5-3-16)22(25-24-15)19-7-6-18(14-20(19)27)29-13-10-26-8-11-28-12-9-26/h2-7,14,27H,8-13H2,1H3,(H,24,25)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libr...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FB51DS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM76083
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES Cc1[nH]nc(c1-c1ccc(Cl)cc1)-c1ccc(OCCN2CCOCC2)cc1O
Show InChI InChI=1S/C22H24ClN3O3/c1-15-21(16-2-4-17(23)5-3-16)22(25-24-15)19-7-6-18(14-20(19)27)29-13-10-26-8-11-28-12-9-26/h2-7,14,27H,8-13H2,1H3,(H,24,25)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PV6HTP
More data for this
Ligand-Target Pair