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SMILES: OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cncs1

InChI Key: InChIKey=KQUFTAYTBYGDSF-UHFFFAOYSA-N

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 = 50259011   
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))
BDBM50259011
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(thiazol-5-yl)-8-a...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cncs1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C23H22Cl2N2OS/c24-19-7-3-1-5-17(19)22(18-6-2-4-8-20(18)25)27-15-9-10-16(27)12-23(28,11-15)21-13-26-14-29-21/h1-8,13-16,22,28H,9-12H2
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1.49E+3n/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: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259011
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(thiazol-5-yl)-8-a...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cncs1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C23H22Cl2N2OS/c24-19-7-3-1-5-17(19)22(18-6-2-4-8-20(18)25)27-15-9-10-16(27)12-23(28,11-15)21-13-26-14-29-21/h1-8,13-16,22,28H,9-12H2
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PC sid
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3.00E+3n/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 NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259011
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(thiazol-5-yl)-8-a...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cncs1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C23H22Cl2N2OS/c24-19-7-3-1-5-17(19)22(18-6-2-4-8-20(18)25)27-15-9-10-16(27)12-23(28,11-15)21-13-26-14-29-21/h1-8,13-16,22,28H,9-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.00E+3n/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 NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair