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BDBM50245836 (rel)-N-((8-(bis(2-chlorophenyl)methyl)-3-(pyridin-2-yl)-8-aza-bicyclo[3.2.1]octan-3-yl)methyl)acetamide::CHEMBL508750

SMILES: CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccn1

InChI Key: InChIKey=GRJYWHVHJJCBMS-SFTDATJTSA-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 = 50245836   
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))
BDBM50245836
PNG
((rel)-N-((8-(bis(2-chlorophenyl)methyl)-3-(pyridin...)
Show SMILES CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccn1 |r,TLB:4:5:12:8.9,28:5:12:8.9|
Show InChI InChI=1S/C28H29Cl2N3O/c1-19(34)32-18-28(26-12-6-7-15-31-26)16-20-13-14-21(17-28)33(20)27(22-8-2-4-10-24(22)29)23-9-3-5-11-25(23)30/h2-12,15,20-21,27H,13-14,16-18H2,1H3,(H,32,34)/t20-,21-/m0/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human cloned nociceptin receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 6340-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.088
BindingDB Entry DOI: 10.7270/Q2QC0396
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50245836
PNG
((rel)-N-((8-(bis(2-chlorophenyl)methyl)-3-(pyridin...)
Show SMILES CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccn1 |r,TLB:4:5:12:8.9,28:5:12:8.9|
Show InChI InChI=1S/C28H29Cl2N3O/c1-19(34)32-18-28(26-12-6-7-15-31-26)16-20-13-14-21(17-28)33(20)27(22-8-2-4-10-24(22)29)23-9-3-5-11-25(23)30/h2-12,15,20-21,27H,13-14,16-18H2,1H3,(H,32,34)/t20-,21-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
374n/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


Bioorg Med Chem Lett 18: 6340-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.088
BindingDB Entry DOI: 10.7270/Q2QC0396
More data for this
Ligand-Target Pair