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SMILES: [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ncccc1Br)N2C(c1ccccc1Cl)c1ccccc1Cl

InChI Key: InChIKey=ADHVGVWDKXMVQG-ROUUACIJSA-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 2 hits for monomerid = 50295440   
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))
BDBM50295440
PNG
(CHEMBL3084660 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ncccc1Br)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C25H23BrCl2N2/c26-21-8-5-13-29-24(21)16-14-17-11-12-18(15-16)30(17)25(19-6-1-3-9-22(19)27)20-7-2-4-10-23(20)28/h1-10,13,16-18,25H,11-12,14-15H2/t17-,18-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
467n/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))
BDBM50295440
PNG
(CHEMBL3084660 | Exo-8-[bis(2-chlorophenyl)methyl]-...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ncccc1Br)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C25H23BrCl2N2/c26-21-8-5-13-29-24(21)16-14-17-11-12-18(15-16)30(17)25(19-6-1-3-9-22(19)27)20-7-2-4-10-23(20)28/h1-10,13,16-18,25H,11-12,14-15H2/t17-,18-/m0/s1
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
8.38E+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 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