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BDBM50105495 17-isobutyl-(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-5-ol::CHEMBL420995::MCL-108

SMILES: CC(C)CN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31

InChI Key: InChIKey=CRNNZEPXNBVIRH-ABZYKWASSA-N

Data: 3 KI

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 = 50105495   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50105495
PNG
(17-isobutyl-(1R,9R,10R)-17-azatetracyclo[7.5.3.01,...)
Show SMILES CC(C)CN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31 |TLB:3:4:12:21.15.14|
Show InChI InChI=1S/C20H29NO/c1-14(2)13-21-10-9-20-8-4-3-5-18(20)19(21)12-15-11-16(22)6-7-17(15)20/h6-7,11,14,18-19,22H,3-5,8-10,12-13H2,1-2H3/t18-,19+,20?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.160n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 in guinea pig brain membranes using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 11: 2735-40 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50105495
PNG
(17-isobutyl-(1R,9R,10R)-17-azatetracyclo[7.5.3.01,...)
Show SMILES CC(C)CN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31 |TLB:3:4:12:21.15.14|
Show InChI InChI=1S/C20H29NO/c1-14(2)13-21-10-9-20-8-4-3-5-18(20)19(21)12-15-11-16(22)6-7-17(15)20/h6-7,11,14,18-19,22H,3-5,8-10,12-13H2,1-2H3/t18-,19+,20?/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.540n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 in guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 11: 2735-40 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50105495
PNG
(17-isobutyl-(1R,9R,10R)-17-azatetracyclo[7.5.3.01,...)
Show SMILES CC(C)CN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31 |TLB:3:4:12:21.15.14|
Show InChI InChI=1S/C20H29NO/c1-14(2)13-21-10-9-20-8-4-3-5-18(20)19(21)12-15-11-16(22)6-7-17(15)20/h6-7,11,14,18-19,22H,3-5,8-10,12-13H2,1-2H3/t18-,19+,20?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.60n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 in guinea pig brain membranes using [3H]naltrindole as radioligand


Bioorg Med Chem Lett 11: 2735-40 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair