BindingDB logo
myBDB logout

BDBM50236328 CHEMBL4099798

SMILES: COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1

InChI Key: InChIKey=JCYQNPLHYOAPCP-UHFFFAOYSA-N

Data: 1 IC50  4 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 5 hits for monomerid = 50236328   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50236328
PNG
(CHEMBL4099798)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O4/c1-36-27-13-3-2-12-26(27)33-18-16-32(17-19-33)15-5-4-14-31-29(35)37-25-11-7-9-23(21-25)22-8-6-10-24(20-22)28(30)34/h2-3,6-13,20-21H,4-5,14-19H2,1H3,(H2,30,34)(H,31,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 14n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50236328
PNG
(CHEMBL4099798)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O4/c1-36-27-13-3-2-12-26(27)33-18-16-32(17-19-33)15-5-4-14-31-29(35)37-25-11-7-9-23(21-25)22-8-6-10-24(20-22)28(30)34/h2-3,6-13,20-21H,4-5,14-19H2,1H3,(H2,30,34)(H,31,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.30n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay


J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50236328
PNG
(CHEMBL4099798)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O4/c1-36-27-13-3-2-12-26(27)33-18-16-32(17-19-33)15-5-4-14-31-29(35)37-25-11-7-9-23(21-25)22-8-6-10-24(20-22)28(30)34/h2-3,6-13,20-21H,4-5,14-19H2,1H3,(H2,30,34)(H,31,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...


J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50236328
PNG
(CHEMBL4099798)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O4/c1-36-27-13-3-2-12-26(27)33-18-16-32(17-19-33)15-5-4-14-31-29(35)37-25-11-7-9-23(21-25)22-8-6-10-24(20-22)28(30)34/h2-3,6-13,20-21H,4-5,14-19H2,1H3,(H2,30,34)(H,31,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.30n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay


J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50236328
PNG
(CHEMBL4099798)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1
Show InChI InChI=1S/C29H34N4O4/c1-36-27-13-3-2-12-26(27)33-18-16-32(17-19-33)15-5-4-14-31-29(35)37-25-11-7-9-23(21-25)22-8-6-10-24(20-22)28(30)34/h2-3,6-13,20-21H,4-5,14-19H2,1H3,(H2,30,34)(H,31,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 56n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor-short expressed in CHO-K1 cells assessed as reduction in adenylyl cyclase activator NKH 477 induced cA...


J Med Chem 60: 2287-2304 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01578
BindingDB Entry DOI: 10.7270/Q29S1T9P
More data for this
Ligand-Target Pair