new BindingDB logo
myBDB logout

BDBM50295451 CHEMBL561373::exo-8-[Bis(2-chlorophenyl)methyl]-3-(2-piperidinyl)-8-azabicyclo[3.2.1]octane

SMILES: Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(C2)C1CCCCN1)c1ccccc1Cl

InChI Key: InChIKey=SKXWCOZMJNQGQP-QHEXFSSWSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50295451   
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295451
PNG
(CHEMBL561373 | exo-8-[Bis(2-chlorophenyl)methyl]-3...)
Show SMILES Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(C2)C1CCCCN1)c1ccccc1Cl |r,TLB:7:8:14.15.13:10.11,THB:16:14:8:10.11|
Show InChI InChI=1S/C25H30Cl2N2/c26-22-9-3-1-7-20(22)25(21-8-2-4-10-23(21)27)29-18-12-13-19(29)16-17(15-18)24-11-5-6-14-28-24/h1-4,7-10,17-19,24-25,28H,5-6,11-16H2/t18-,19-,24?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50295451
PNG
(CHEMBL561373 | exo-8-[Bis(2-chlorophenyl)methyl]-3...)
Show SMILES Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(C2)C1CCCCN1)c1ccccc1Cl |r,TLB:7:8:14.15.13:10.11,THB:16:14:8:10.11|
Show InChI InChI=1S/C25H30Cl2N2/c26-22-9-3-1-7-20(22)25(21-8-2-4-10-23(21)27)29-18-12-13-19(29)16-17(15-18)24-11-5-6-14-28-24/h1-4,7-10,17-19,24-25,28H,5-6,11-16H2/t18-,19-,24?/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
412n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295451
PNG
(CHEMBL561373 | exo-8-[Bis(2-chlorophenyl)methyl]-3...)
Show SMILES Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(C2)C1CCCCN1)c1ccccc1Cl |r,TLB:7:8:14.15.13:10.11,THB:16:14:8:10.11|
Show InChI InChI=1S/C25H30Cl2N2/c26-22-9-3-1-7-20(22)25(21-8-2-4-10-23(21)27)29-18-12-13-19(29)16-17(15-18)24-11-5-6-14-28-24/h1-4,7-10,17-19,24-25,28H,5-6,11-16H2/t18-,19-,24?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair