BindingDB logo
myBDB logout

null

SMILES: [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(O)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl

InChI Key: InChIKey=ROMUGJLHDLJNCR-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 = 50295437   
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))
BDBM50295437
PNG
(CHEMBL3084655 | exo-6-[8-[Bis(2-chlorophenyl)-meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(O)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C25H24Cl2N2O/c26-22-7-3-1-5-20(22)25(21-6-2-4-8-23(21)27)29-17-9-10-18(29)14-16(13-17)24-12-11-19(30)15-28-24/h1-8,11-12,15-18,25,30H,9-10,13-14H2/t17-,18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
24n/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))
BDBM50295437
PNG
(CHEMBL3084655 | exo-6-[8-[Bis(2-chlorophenyl)-meth...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(O)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Show InChI InChI=1S/C25H24Cl2N2O/c26-22-7-3-1-5-20(22)25(21-6-2-4-8-23(21)27)29-17-9-10-18(29)14-16(13-17)24-12-11-19(30)15-28-24/h1-8,11-12,15-18,25,30H,9-10,13-14H2/t17-,18-/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
234n/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