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SMILES: OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnn1

InChI Key: InChIKey=IRRWZIHKAODIIS-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 = 50259012   
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))
BDBM50259012
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(pyridazin-3-yl)-8...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnn1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C24H23Cl2N3O/c25-20-8-3-1-6-18(20)23(19-7-2-4-9-21(19)26)29-16-11-12-17(29)15-24(30,14-16)22-10-5-13-27-28-22/h1-10,13,16-17,23,30H,11-12,14-15H2
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470n/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))
BDBM50259012
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(pyridazin-3-yl)-8...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnn1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C24H23Cl2N3O/c25-20-8-3-1-6-18(20)23(19-7-2-4-9-21(19)26)29-16-11-12-17(29)15-24(30,14-16)22-10-5-13-27-28-22/h1-10,13,16-17,23,30H,11-12,14-15H2
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Article
PubMed
3.76E+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))
BDBM50259012
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(pyridazin-3-yl)-8...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnn1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C24H23Cl2N3O/c25-20-8-3-1-6-18(20)23(19-7-2-4-9-21(19)26)29-16-11-12-17(29)15-24(30,14-16)22-10-5-13-27-28-22/h1-10,13,16-17,23,30H,11-12,14-15H2
PDB

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UniChem

Patents

Article
PubMed
3.76E+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