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BDBM50259582 CHEMBL512962::endo-8-(bis(2-chlorophenyl)methyl)-3-(piperidin-2-yl)-8-azabicyclo[3.2.1]octane-3-carboxamide

SMILES: NC(=O)C1(C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CCCCN1

InChI Key: InChIKey=LIGAXKWGEDSCQR-JGUPTHKFSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50259582   
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))
BDBM50259582
PNG
(CHEMBL512962 | endo-8-(bis(2-chlorophenyl)methyl)-...)
Show SMILES NC(=O)C1(C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CCCCN1 |r,TLB:1:3:10:6.7|
Show InChI InChI=1S/C26H31Cl2N3O/c27-21-9-3-1-7-19(21)24(20-8-2-4-10-22(20)28)31-17-12-13-18(31)16-26(15-17,25(29)32)23-11-5-6-14-30-23/h1-4,7-10,17-18,23-24,30H,5-6,11-16H2,(H2,29,32)/t17-,18-,23?/m1/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259582
PNG
(CHEMBL512962 | endo-8-(bis(2-chlorophenyl)methyl)-...)
Show SMILES NC(=O)C1(C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CCCCN1 |r,TLB:1:3:10:6.7|
Show InChI InChI=1S/C26H31Cl2N3O/c27-21-9-3-1-7-19(21)24(20-8-2-4-10-22(20)28)31-17-12-13-18(31)16-26(15-17,25(29)32)23-11-5-6-14-30-23/h1-4,7-10,17-18,23-24,30H,5-6,11-16H2,(H2,29,32)/t17-,18-,23?/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
474n/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 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair