new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 334 hits with Last Name = 'gu' and Initial = 'xh'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50366764
PNG
(CHEMBL1790045 | MCL-117)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC#C)c2c1
Show InChI InChI=1S/C19H23NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h1,6-7,13,16,18,21H,3-5,8-12H2/t16-,18+,19+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.00300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


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)
BDBM50366764
PNG
(CHEMBL1790045 | MCL-117)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC#C)c2c1
Show InChI InChI=1S/C19H23NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h1,6-7,13,16,18,21H,3-5,8-12H2/t16-,18+,19+/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.00320n/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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50451302
PNG
(CHEMBL2115245)
Show SMILES [H][C@@]12Cc3cc(O)ccc3[C@]3(CCCC[C@@]13[H])CCN2C\C=C\I |THB:20:19:15:9.3.2|
Show InChI InChI=1S/C19H24INO/c20-9-3-10-21-11-8-19-7-2-1-4-17(19)18(21)13-14-12-15(22)5-6-16(14)19/h3,5-6,9,12,17-18,22H,1-2,4,7-8,10-11,13H2/b9-3+/t17-,18+,19-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.00480n/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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
0.0300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50451302
PNG
(CHEMBL2115245)
Show SMILES [H][C@@]12Cc3cc(O)ccc3[C@]3(CCCC[C@@]13[H])CCN2C\C=C\I |THB:20:19:15:9.3.2|
Show InChI InChI=1S/C19H24INO/c20-9-3-10-21-11-8-19-7-2-1-4-17(19)18(21)13-14-12-15(22)5-6-16(14)19/h3,5-6,9,12,17-18,22H,1-2,4,7-8,10-11,13H2/b9-3+/t17-,18+,19-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0370n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135806
PNG
(CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...)
Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C52H72N2O4/c55-49(57-41-23-21-39-31-47-43-17-7-9-25-51(43,45(39)33-41)27-29-53(47)35-37-13-11-14-37)19-5-3-1-2-4-6-20-50(56)58-42-24-22-40-32-48-44-18-8-10-26-52(44,46(40)34-42)28-30-54(48)36-38-15-12-16-38/h21-24,33-34,37-38,43-44,47-48H,1-20,25-32,35-36H2/t43-,44-,47+,48+,51+,52+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.0530n/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50106857
PNG
(3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-car...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 |THB:2:4:18:6.7|
Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.0600n/an/an/an/an/an/an/an/a



Alcohol and Drug Abuse Research Center

Curated by ChEMBL


Assay Description
Ability to displace [3H]- paroxetine from Serotonin transporter in rat cerebral cortical homogenate


Bioorg Med Chem Lett 11: 3049-53 (2001)


BindingDB Entry DOI: 10.7270/Q23N22PN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
0.0600n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cells membranes was determined using [3H]-DAMGO radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135796
PNG
(1-[17-cyclobutylmethyl-(1R,9R,10R)-17-azatetracycl...)
Show SMILES COC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C32H47NO4/c1-36-30(34)14-6-4-2-3-5-7-15-31(35)37-26-17-16-25-21-29-27-13-8-9-18-32(27,28(25)22-26)19-20-33(29)23-24-11-10-12-24/h16-17,22,24,27,29H,2-15,18-21,23H2,1H3/t27-,29+,32+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0700n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.0700n/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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.0800n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135798
PNG
(CHEMBL433697 | di[17-cyclobutylmethyl-(10R)-17-aza...)
Show SMILES O=C(CCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C46H60N2O4/c49-43(51-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-47(41)29-31-7-5-8-31)17-18-44(50)52-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-48(42)30-32-9-6-10-32/h13-16,27-28,31-32,37-38,41-42H,1-12,17-26,29-30H2/t37-,38-,41+,42+,45+,46+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0800n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135797
PNG
(CHEMBL146756 | di[17-cyclobutylmethyl-(1R,9R,10R)-...)
Show SMILES O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C46H58N2O4/c49-43(51-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-47(41)29-31-7-5-8-31)17-18-44(50)52-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-48(42)30-32-9-6-10-32/h13-18,27-28,31-32,37-38,41-42H,1-12,19-26,29-30H2/b18-17+/t37-,38-,41+,42+,45+,46+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0800n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50105498
PNG
(17-(3-fluoropropyl)-(1R,9R,10R)-17-azatetracyclo[7...)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCCF)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C19H26FNO/c20-9-3-10-21-11-8-19-7-2-1-4-17(19)18(21)13-14-12-15(22)5-6-16(14)19/h5-6,12,17-18,22H,1-4,7-11,13H2/t17-,18+,19?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0830n/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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135806
PNG
(CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...)
Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C52H72N2O4/c55-49(57-41-23-21-39-31-47-43-17-7-9-25-51(43,45(39)33-41)27-29-53(47)35-37-13-11-14-37)19-5-3-1-2-4-6-20-50(56)58-42-24-22-40-32-48-44-18-8-10-26-52(44,46(40)34-42)28-30-54(48)36-38-15-12-16-38/h21-24,33-34,37-38,43-44,47-48H,1-20,25-32,35-36H2/t43-,44-,47+,48+,51+,52+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0900n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cells membranes was determined using [3H]-DAMGO radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.0920n/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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50105477
PNG
(17-(2-methoxyethyl)-(1R,9R,10R)-17-azatetracyclo[7...)
Show SMILES COCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31 |TLB:3:4:12:21.15.14|
Show InChI InChI=1S/C19H27NO2/c1-22-11-10-20-9-8-19-7-3-2-4-17(19)18(20)13-14-12-15(21)5-6-16(14)19/h5-6,12,17-18,21H,2-4,7-11,13H2,1H3/t17-,18+,19?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0940n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
0.100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR deletion (746 to 750 residues) mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)


BindingDB Entry DOI: 10.7270/Q2HH6MZQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
PubMed
0.100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)


BindingDB Entry DOI: 10.7270/Q2HH6MZQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135801
PNG
(CHEMBL413512 | di[17-cyclopropylmethyl-(10R)-17-az...)
Show SMILES O=C(CCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C44H56N2O4/c47-41(49-33-13-11-31-23-39-35-5-1-3-17-43(35,37(31)25-33)19-21-45(39)27-29-7-8-29)15-16-42(48)50-34-14-12-32-24-40-36-6-2-4-18-44(36,38(32)26-34)20-22-46(40)28-30-9-10-30/h11-14,25-26,29-30,35-36,39-40H,1-10,15-24,27-28H2/t35-,36-,39+,40+,43+,44+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50105477
PNG
(17-(2-methoxyethyl)-(1R,9R,10R)-17-azatetracyclo[7...)
Show SMILES COCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31 |TLB:3:4:12:21.15.14|
Show InChI InChI=1S/C19H27NO2/c1-22-11-10-20-9-8-19-7-3-2-4-17(19)18(20)13-14-12-15(21)5-6-16(14)19/h5-6,12,17-18,21H,2-4,7-11,13H2,1H3/t17-,18+,19?/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.110n/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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50105496
PNG
(17-phenethyl-(1R,9R,10R)-17-azatetracyclo[7.5.3.01...)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCc2ccccc2)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C24H29NO/c26-20-9-10-21-19(16-20)17-23-22-8-4-5-12-24(21,22)13-15-25(23)14-11-18-6-2-1-3-7-18/h1-3,6-7,9-10,16,22-23,26H,4-5,8,11-15,17H2/t22-,23+,24?/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.120n/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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.120n/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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50105474
PNG
(17-(2-furylmethyl)-(1R,9R,10R)-17-azatetracyclo[7....)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3Cc2ccco2)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C21H25NO2/c23-16-6-7-18-15(12-16)13-20-19-5-1-2-8-21(18,19)9-10-22(20)14-17-4-3-11-24-17/h3-4,6-7,11-12,19-20,23H,1-2,5,8-10,13-14H2/t19-,20+,21?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.130n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135801
PNG
(CHEMBL413512 | di[17-cyclopropylmethyl-(10R)-17-az...)
Show SMILES O=C(CCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C44H56N2O4/c47-41(49-33-13-11-31-23-39-35-5-1-3-17-43(35,37(31)25-33)19-21-45(39)27-29-7-8-29)15-16-42(48)50-34-14-12-32-24-40-36-6-2-4-18-44(36,38(32)26-34)20-22-46(40)28-30-9-10-30/h11-14,25-26,29-30,35-36,39-40H,1-10,15-24,27-28H2/t35-,36-,39+,40+,43+,44+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cells membranes was determined using [3H]-DAMGO radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50105491
PNG
(17-allyl-(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10....)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CC=C)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-17(19)18(20)13-14-12-15(21)6-7-16(14)19/h2,6-7,12,17-18,21H,1,3-5,8-11,13H2/t17-,18+,19?/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 guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593


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)
BDBM50105479
PNG
(3-[5-hydroxy-(1R,9R,10R)-17-azatetracyclo[7.5.3.01...)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCCC#N)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C20H26N2O/c21-10-3-4-11-22-12-9-20-8-2-1-5-18(20)19(22)14-15-13-16(23)6-7-17(15)20/h6-7,13,18-19,23H,1-5,8-9,11-12,14H2/t18-,19+,20?/m0/s1
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 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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135798
PNG
(CHEMBL433697 | di[17-cyclobutylmethyl-(10R)-17-aza...)
Show SMILES O=C(CCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C46H60N2O4/c49-43(51-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-47(41)29-31-7-5-8-31)17-18-44(50)52-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-48(42)30-32-9-6-10-32/h13-16,27-28,31-32,37-38,41-42H,1-12,17-26,29-30H2/t37-,38-,41+,42+,45+,46+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cells membranes was determined using [3H]-DAMGO radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135809
PNG
(CHEMBL150061 | MCL-143 | di[17-cyclobutylmethyl-(9...)
Show SMILES O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)[C@H]1C[C@H]1C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C47H60N2O4/c50-44(52-34-15-13-32-23-42-38-11-1-3-17-46(38,40(32)25-34)19-21-48(42)28-30-7-5-8-30)36-27-37(36)45(51)53-35-16-14-33-24-43-39-12-2-4-18-47(39,41(33)26-35)20-22-49(43)29-31-9-6-10-31/h13-16,25-26,30-31,36-39,42-43H,1-12,17-24,27-29H2/t36-,37+,38-,39-,42+,43+,46+,47+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.170n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50105498
PNG
(17-(3-fluoropropyl)-(1R,9R,10R)-17-azatetracyclo[7...)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCCF)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C19H26FNO/c20-9-3-10-21-11-8-19-7-2-1-4-17(19)18(21)13-14-12-15(22)5-6-16(14)19/h5-6,12,17-18,22H,1-4,7-11,13H2/t17-,18+,19?/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.180n/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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135797
PNG
(CHEMBL146756 | di[17-cyclobutylmethyl-(1R,9R,10R)-...)
Show SMILES O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C46H58N2O4/c49-43(51-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-47(41)29-31-7-5-8-31)17-18-44(50)52-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-48(42)30-32-9-6-10-32/h13-18,27-28,31-32,37-38,41-42H,1-12,19-26,29-30H2/b18-17+/t37-,38-,41+,42+,45+,46+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cells membranes was determined using [3H]-DAMGO radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50141636
PNG
(CHEMBL3758502)
Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2ccccc12)-c1cn[nH]c1
Show InChI InChI=1S/C18H17N7O/c1-18(2)14-12(9-26-18)16(22-15(21-14)10-7-19-20-8-10)23-17-11-5-3-4-6-13(11)24-25-17/h3-8H,9H2,1-2H3,(H,19,20)(H2,21,22,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR deletion (746 to 750 residues) mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)


BindingDB Entry DOI: 10.7270/Q2HH6MZQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50105485
PNG
(17-cyclopentylmethyl-17-azatetracyclo[7.5.3.01,10....)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CC2CCCC2)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C22H31NO/c24-18-8-9-19-17(13-18)14-21-20-7-3-4-10-22(19,20)11-12-23(21)15-16-5-1-2-6-16/h8-9,13,16,20-21,24H,1-7,10-12,14-15H2/t20-,21+,22?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.210n/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)
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
0.210n/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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

DrugBank
Article
PubMed
0.210n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cells membranes was determined using [3H]-DAMGO radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
0.220n/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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50105497
PNG
(2-[5-hydroxy-(1R,9R,10R)-17-azatetracyclo[7.5.3.01...)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC#N)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C19H24N2O/c20-9-3-10-21-11-8-19-7-2-1-4-17(19)18(21)13-14-12-15(22)5-6-16(14)19/h5-6,12,17-18,22H,1-4,7-8,10-11,13H2/t17-,18+,19?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135796
PNG
(1-[17-cyclobutylmethyl-(1R,9R,10R)-17-azatetracycl...)
Show SMILES COC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C32H47NO4/c1-36-30(34)14-6-4-2-3-5-7-15-31(35)37-26-17-16-25-21-29-27-13-8-9-18-32(27,28(25)22-26)19-20-33(29)23-24-11-10-12-24/h16-17,22,24,27,29H,2-15,18-21,23H2,1H3/t27-,29+,32+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cells membranes was determined using [3H]-DAMGO radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cells membranes was determined using [3H]-DAMGO radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50105481
PNG
(17-(2-ethoxyethyl)-(1R,9R,10R)-17-azatetracyclo[7....)
Show SMILES CCOCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31 |TLB:4:5:13:22.16.15|
Show InChI InChI=1S/C20H29NO2/c1-2-23-12-11-21-10-9-20-8-4-3-5-18(20)19(21)14-15-13-16(22)6-7-17(15)20/h6-7,13,18-19,22H,2-5,8-12,14H2,1H3/t18-,19+,20?/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.260n/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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50290967
PNG
(1-{(5R,7S,8S)-8-[(2-Benzofuran-4-yl-acetyl)-methyl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1cccc2occc12
Show InChI InChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3/t20-,21-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.270n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50105492
PNG
(3-[5-hydroxy-(1R,9R,10R)-17-azatetracyclo[7.5.3.01...)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC(=O)c2cccs2)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C23H27NO2S/c25-17-6-7-18-16(14-17)15-20-19-4-1-2-9-23(18,19)10-12-24(20)11-8-21(26)22-5-3-13-27-22/h3,5-7,13-14,19-20,25H,1-2,4,8-12,15H2/t19-,20+,23?/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.270n/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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50105493
PNG
(1-(2-furyl)-3-[5-hydroxy-(1R,9R,10R)-17-azatetracy...)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC(=O)c2ccco2)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C23H27NO3/c25-17-6-7-18-16(14-17)15-20-19-4-1-2-9-23(18,19)10-12-24(20)11-8-21(26)22-5-3-13-27-22/h3,5-7,13-14,19-20,25H,1-2,4,8-12,15H2/t19-,20+,23?/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.280n/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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135809
PNG
(CHEMBL150061 | MCL-143 | di[17-cyclobutylmethyl-(9...)
Show SMILES O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)[C@H]1C[C@H]1C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C47H60N2O4/c50-44(52-34-15-13-32-23-42-38-11-1-3-17-46(38,40(32)25-34)19-21-48(42)28-30-7-5-8-30)36-27-37(36)45(51)53-35-16-14-33-24-43-39-12-2-4-18-47(39,41(33)26-35)20-22-49(43)29-31-9-6-10-31/h13-16,25-26,30-31,36-39,42-43H,1-12,17-24,27-29H2/t36-,37+,38-,39-,42+,43+,46+,47+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.280n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cells membranes was determined using [3H]-DAMGO radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
0.300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin)


Bioorg Med Chem Lett 26: 534-9 (2016)


BindingDB Entry DOI: 10.7270/Q2HH6MZQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50105489
PNG
(17-(2-furylmethyl)-(1R,9R,10R)-17-azatetracyclo[7....)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3Cc2cccs2)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C21H25NOS/c23-16-6-7-18-15(12-16)13-20-19-5-1-2-8-21(18,19)9-10-22(20)14-17-4-3-11-24-17/h3-4,6-7,11-12,19-20,23H,1-2,5,8-10,13-14H2/t19-,20+,21?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.320n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


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)
BDBM50105497
PNG
(2-[5-hydroxy-(1R,9R,10R)-17-azatetracyclo[7.5.3.01...)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC#N)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C19H24N2O/c20-9-3-10-21-11-8-19-7-2-1-4-17(19)18(21)13-14-12-15(22)5-6-16(14)19/h5-6,12,17-18,22H,1-4,7-8,10-11,13H2/t17-,18+,19?/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.330n/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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50105481
PNG
(17-(2-ethoxyethyl)-(1R,9R,10R)-17-azatetracyclo[7....)
Show SMILES CCOCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31 |TLB:4:5:13:22.16.15|
Show InChI InChI=1S/C20H29NO2/c1-2-23-12-11-21-10-9-20-8-4-3-5-18(20)19(21)14-15-13-16(22)6-7-17(15)20/h6-7,13,18-19,22H,2-5,8-12,14H2,1H3/t18-,19+,20?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.330n/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
Displayed 1 to 50 (of 334 total )  |  Next  |  Last  >>
Jump to: