BindingDB logo
myBDB logout

BDBM50132641 4-(4-Chloro-3-trifluoromethyl-phenyl)-1-indan-2-yl-piperidin-4-ol::CHEMBL112974

SMILES: OC1(CCN(CC1)C1Cc2ccccc2C1)c1ccc(Cl)c(c1)C(F)(F)F

InChI Key: InChIKey=VMQXRAQBUYWEOG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50132641   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50132641
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-indan-2-yl...)
Show SMILES OC1(CCN(CC1)C1Cc2ccccc2C1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H21ClF3NO/c22-19-6-5-16(13-18(19)21(23,24)25)20(27)7-9-26(10-8-20)17-11-14-3-1-2-4-15(14)12-17/h1-6,13,17,27H,7-12H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
19n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against opioid receptor mu1


Bioorg Med Chem Lett 13: 3247-52 (2003)


BindingDB Entry DOI: 10.7270/Q2K936XQ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132641
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-indan-2-yl...)
Show SMILES OC1(CCN(CC1)C1Cc2ccccc2C1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H21ClF3NO/c22-19-6-5-16(13-18(19)21(23,24)25)20(27)7-9-26(10-8-20)17-11-14-3-1-2-4-15(14)12-17/h1-6,13,17,27H,7-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
82n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against orphan FQ receptor


Bioorg Med Chem Lett 13: 3247-52 (2003)


BindingDB Entry DOI: 10.7270/Q2K936XQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50132641
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-indan-2-yl...)
Show SMILES OC1(CCN(CC1)C1Cc2ccccc2C1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H21ClF3NO/c22-19-6-5-16(13-18(19)21(23,24)25)20(27)7-9-26(10-8-20)17-11-14-3-1-2-4-15(14)12-17/h1-6,13,17,27H,7-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against Opioid receptor delta 1


Bioorg Med Chem Lett 13: 3247-52 (2003)


BindingDB Entry DOI: 10.7270/Q2K936XQ
More data for this
Ligand-Target Pair