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

Found 220 hits with Last Name = 'kellogg' and Initial = 'ge'   
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
Mu-type opioid receptor


(MOUSE)		BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
 0.330n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50066282
PNG
(CHEMBL2417568)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ncc2ccccc2c1O)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C30H31N3O5/c34-21-8-7-17-13-22-30(37)10-9-20(32-28(36)24-25(35)19-4-2-1-3-18(19)14-31-24)27-29(30,23(17)26(21)38-27)11-12-33(22)15-16-5-6-16/h1-4,7-8,14,16,20,22,27,34-35,37H,5-6,9-13,15H2,(H,32,36)/t20-,22+,27-,29-,30+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 0.450n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM35928
PNG
(3-(9,10-dihydroanthracen-9-yl)-N,N-dimethylpropan-...)
Show SMILES CN(C)CCCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C19H23N/c1-20(2)13-7-12-19-17-10-5-3-8-15(17)14-16-9-4-6-11-18(16)19/h3-6,8-11,19H,7,12-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
 0.5 -53.1n/an/an/an/an/an/a25



Virginia Commonwealth University



Assay Description
Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...

Bioorg Med Chem 17: 6496-504 (2009)


Article DOI: 10.1016/j.bmc.2009.08.016
BindingDB Entry DOI: 10.7270/Q2QJ7FN6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50066279
PNG
(CHEMBL2419121)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1nc(Cl)c2ccccc2c1OC)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H32ClN3O5/c1-39-25-18-4-2-3-5-19(18)28(32)34-24(25)29(37)33-20-10-11-31(38)22-14-17-8-9-21(36)26-23(17)30(31,27(20)40-26)12-13-35(22)15-16-6-7-16/h2-5,8-9,16,20,22,27,36,38H,6-7,10-15H2,1H3,(H,33,37)/t20-,22+,27-,30-,31+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 0.550n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50066278
PNG
(CHEMBL2419120)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)c1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C32H34N4O5/c37-24-8-7-20-14-25-32(40)10-9-22(29-31(32,27(20)28(24)41-29)11-12-36(25)17-18-5-6-18)35-26(38)16-34-30(39)23-13-19-3-1-2-4-21(19)15-33-23/h1-4,7-8,13,15,18,22,25,29,37,40H,5-6,9-12,14,16-17H2,(H,34,39)(H,35,38)/t22-,25+,29-,31-,32+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 0.610n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50066277
PNG
(CHEMBL2419119)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C32H35N3O4/c36-25-9-7-21-16-26-32(38)12-11-24(34-27(37)10-8-23-15-20-3-1-2-4-22(20)17-33-23)30-31(32,28(21)29(25)39-30)13-14-35(26)18-19-5-6-19/h1-4,7,9,15,17,19,24,26,30,36,38H,5-6,8,10-14,16,18H2,(H,34,37)/t24-,26+,30-,31-,32+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 0.680n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50066280
PNG
(CHEMBL2419122)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1nc(Cl)c2ccccc2c1O)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C30H30ClN3O5/c31-27-18-4-2-1-3-17(18)24(36)23(33-27)28(37)32-19-9-10-30(38)21-13-16-7-8-20(35)25-22(16)29(30,26(19)39-25)11-12-34(21)14-15-5-6-15/h1-4,7-8,15,19,21,26,35-36,38H,5-6,9-14H2,(H,32,37)/t19-,21+,26-,29-,30+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 0.730n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50066344
PNG
(CHEMBL2419116)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccccc2c(n1)C#N)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H30N4O4/c32-15-23-20-4-2-1-3-18(20)13-22(33-23)29(37)34-21-9-10-31(38)25-14-19-7-8-24(36)27-26(19)30(31,28(21)39-27)11-12-35(25)16-17-5-6-17/h1-4,7-8,13,17,21,25,28,36,38H,5-6,9-12,14,16H2,(H,34,37)/t21-,25+,28-,30-,31+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 0.990n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50066284
PNG
(CHEMBL2419123)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ncc2ccccc2n1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C29H30N4O4/c34-21-8-7-17-13-22-29(36)10-9-20(32-27(35)26-30-14-18-3-1-2-4-19(18)31-26)25-28(29,23(17)24(21)37-25)11-12-33(22)15-16-5-6-16/h1-4,7-8,14,16,20,22,25,34,36H,5-6,9-13,15H2,(H,32,35)/t20-,22+,25-,28-,29+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 1.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50066276
PNG
(CHEMBL2419118)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)Cc1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H33N3O4/c35-24-8-7-20-14-25-31(37)10-9-23(33-26(36)15-22-13-19-3-1-2-4-21(19)16-32-22)29-30(31,27(20)28(24)38-29)11-12-34(25)17-18-5-6-18/h1-4,7-8,13,16,18,23,25,29,35,37H,5-6,9-12,14-15,17H2,(H,33,36)/t23-,25+,29-,30-,31+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 1.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50292919
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-21(32-28(35)22-13-18-3-1-2-4-20(18)15-31-22)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,21,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t21-,24+,27-,29-,30+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
 1.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50066276
PNG
(CHEMBL2419118)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)Cc1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H33N3O4/c35-24-8-7-20-14-25-31(37)10-9-23(33-26(36)15-22-13-19-3-1-2-4-21(19)16-32-22)29-30(31,27(20)28(24)38-29)11-12-34(25)17-18-5-6-18/h1-4,7-8,13,16,18,23,25,29,35,37H,5-6,9-12,14-15,17H2,(H,33,36)/t23-,25+,29-,30-,31+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 1.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50066285
PNG
(CHEMBL2419124)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccccc2c(Cl)n1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C30H30ClN3O4/c31-27-19-4-2-1-3-17(19)13-21(32-27)28(36)33-20-9-10-30(37)23-14-18-7-8-22(35)25-24(18)29(30,26(20)38-25)11-12-34(23)15-16-5-6-16/h1-4,7-8,13,16,20,23,26,35,37H,5-6,9-12,14-15H2,(H,33,36)/t20-,23+,26-,29-,30+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 1.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
 1.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50066277
PNG
(CHEMBL2419119)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C32H35N3O4/c36-25-9-7-21-16-26-32(38)12-11-24(34-27(37)10-8-23-15-20-3-1-2-4-22(20)17-33-23)30-31(32,28(21)29(25)39-30)13-14-35(26)18-19-5-6-19/h1-4,7,9,15,17,19,24,26,30,36,38H,5-6,8,10-14,16,18H2,(H,34,37)/t24-,26+,30-,31-,32+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 1.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50066359
PNG
(CHEMBL3401558)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)C1Cc2ccc(cc2CN1C)N(C)C)ccc3O |r,TLB:10:9:17:4.5.6|
Show InChI InChI=1/C33H42N4O4/c1-35(2)23-8-6-20-15-25(36(3)18-22(20)14-23)31(39)34-24-10-11-33(40)27-16-21-7-9-26(38)29-28(21)32(33,30(24)41-29)12-13-37(27)17-19-4-5-19/h6-9,14,19,24-25,27,30,38,40H,4-5,10-13,15-18H2,1-3H3,(H,34,39)/t24-,25?,27+,30-,32-,33+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 1.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50066346
PNG
(CHEMBL2419125)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccccc2c(C)n1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H33N3O4/c1-17-21-5-3-2-4-19(21)14-23(32-17)29(36)33-22-10-11-31(37)25-15-20-8-9-24(35)27-26(20)30(31,28(22)38-27)12-13-34(25)16-18-6-7-18/h2-5,8-9,14,18,22,25,28,35,37H,6-7,10-13,15-16H2,1H3,(H,33,36)/t22-,25+,28-,30-,31+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 2.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50066278
PNG
(CHEMBL2419120)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)c1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C32H34N4O5/c37-24-8-7-20-14-25-32(40)10-9-22(29-31(32,27(20)28(24)41-29)11-12-36(25)17-18-5-6-18)35-26(38)16-34-30(39)23-13-19-3-1-2-4-21(19)15-33-23/h1-4,7-8,13,15,18,22,25,29,37,40H,5-6,9-12,14,16-17H2,(H,34,39)(H,35,38)/t22-,25+,29-,31-,32+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 2.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50066358
PNG
(CHEMBL2419117)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H37N3O4/c1-33-17-21-5-3-2-4-19(21)14-23(33)29(36)32-22-10-11-31(37)25-15-20-8-9-24(35)27-26(20)30(31,28(22)38-27)12-13-34(25)16-18-6-7-18/h2-5,8-9,18,22-23,25,28,35,37H,6-7,10-17H2,1H3,(H,32,36)/t22-,23-,25+,28-,30-,31+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 2.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM35927
PNG
(3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-am...)
Show SMILES CNCCCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C18H21N/c1-19-12-6-11-18-16-9-4-2-7-14(16)13-15-8-3-5-10-17(15)18/h2-5,7-10,18-19H,6,11-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 3 -48.6n/an/an/an/an/an/a25



Virginia Commonwealth University



Assay Description
Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...

Bioorg Med Chem 17: 6496-504 (2009)


Article DOI: 10.1016/j.bmc.2009.08.016
BindingDB Entry DOI: 10.7270/Q2QJ7FN6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50066351
PNG
(CHEMBL3401555)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccc(cc2cn1)[N+]([O-])=O)ccc3O |r,TLB:10:9:17:4.5.6|
Show InChI InChI=1/C30H30N4O6/c35-23-6-4-18-13-24-30(37)8-7-21(27-29(30,25(18)26(23)40-27)9-10-33(24)15-16-1-2-16)32-28(36)22-12-17-3-5-20(34(38)39)11-19(17)14-31-22/h3-6,11-12,14,16,21,24,27,35,37H,1-2,7-10,13,15H2,(H,32,36)/t21-,24+,27-,29-,30+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 3.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50066282
PNG
(CHEMBL2417568)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ncc2ccccc2c1O)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C30H31N3O5/c34-21-8-7-17-13-22-30(37)10-9-20(32-28(36)24-25(35)19-4-2-1-3-18(19)14-31-24)27-29(30,23(17)26(21)38-27)11-12-33(22)15-16-5-6-16/h1-4,7-8,14,16,20,22,27,34-35,37H,5-6,9-13,15H2,(H,32,36)/t20-,22+,27-,29-,30+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50066354
PNG
(CHEMBL3401556)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccc(cc2cn1)N(C)C)ccc3O |r,TLB:10:9:17:4.5.6|
Show InChI InChI=1/C32H36N4O4/c1-35(2)22-7-5-19-14-24(33-16-21(19)13-22)30(38)34-23-9-10-32(39)26-15-20-6-8-25(37)28-27(20)31(32,29(23)40-28)11-12-36(26)17-18-3-4-18/h5-8,13-14,16,18,23,26,29,37,39H,3-4,9-12,15,17H2,1-2H3,(H,34,38)/t23-,26+,29-,31-,32+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 4.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50066359
PNG
(CHEMBL3401558)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)C1Cc2ccc(cc2CN1C)N(C)C)ccc3O |r,TLB:10:9:17:4.5.6|
Show InChI InChI=1/C33H42N4O4/c1-35(2)23-8-6-20-15-25(36(3)18-22(20)14-23)31(39)34-24-10-11-33(40)27-16-21-7-9-26(38)29-28(21)32(33,30(24)41-29)12-13-37(27)17-19-4-5-19/h6-9,14,19,24-25,27,30,38,40H,4-5,10-13,15-18H2,1-3H3,(H,34,39)/t24-,25?,27+,30-,32-,33+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 4.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50066359
PNG
(CHEMBL3401558)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)C1Cc2ccc(cc2CN1C)N(C)C)ccc3O |r,TLB:10:9:17:4.5.6|
Show InChI InChI=1/C33H42N4O4/c1-35(2)23-8-6-20-15-25(36(3)18-22(20)14-23)31(39)34-24-10-11-33(40)27-16-21-7-9-26(38)29-28(21)32(33,30(24)41-29)12-13-37(27)17-19-4-5-19/h6-9,14,19,24-25,27,30,38,40H,4-5,10-13,15-18H2,1-3H3,(H,34,39)/t24-,25?,27+,30-,32-,33+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 4.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50066284
PNG
(CHEMBL2419123)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ncc2ccccc2n1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C29H30N4O4/c34-21-8-7-17-13-22-29(36)10-9-20(32-27(35)26-30-14-18-3-1-2-4-19(18)31-26)25-28(29,23(17)24(21)37-25)11-12-33(22)15-16-5-6-16/h1-4,7-8,14,16,20,22,25,34,36H,5-6,9-13,15H2,(H,32,35)/t20-,22+,25-,28-,29+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 5.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50066348
PNG
(CHEMBL3401554)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2cc(ccc2cn1)[N+]([O-])=O)ccc3O |r,TLB:10:9:17:4.5.6|
Show InChI InChI=1/C30H30N4O6/c35-23-6-4-17-13-24-30(37)8-7-21(27-29(30,25(17)26(23)40-27)9-10-33(24)15-16-1-2-16)32-28(36)22-12-19-11-20(34(38)39)5-3-18(19)14-31-22/h3-6,11-12,14,16,21,24,27,35,37H,1-2,7-10,13,15H2,(H,32,36)/t21-,24+,27-,29-,30+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 5.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM35925
PNG
(9,10-dihydroanthracene(DHA), 2c)
Show SMILES CN(C)CCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C18H21N/c1-19(2)12-11-18-16-9-5-3-7-14(16)13-15-8-4-6-10-17(15)18/h3-10,18H,11-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 6 -46.9n/an/an/an/an/an/a25



Virginia Commonwealth University



Assay Description
Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...

Bioorg Med Chem 17: 6496-504 (2009)


Article DOI: 10.1016/j.bmc.2009.08.016
BindingDB Entry DOI: 10.7270/Q2QJ7FN6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50066358
PNG
(CHEMBL2419117)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H37N3O4/c1-33-17-21-5-3-2-4-19(21)14-23(33)29(36)32-22-10-11-31(37)25-15-20-8-9-24(35)27-26(20)30(31,28(22)38-27)12-13-34(25)16-18-6-7-18/h2-5,8-9,18,22-23,25,28,35,37H,6-7,10-17H2,1H3,(H,32,36)/t22-,23-,25+,28-,30-,31+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 6.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50066277
PNG
(CHEMBL2419119)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C32H35N3O4/c36-25-9-7-21-16-26-32(38)12-11-24(34-27(37)10-8-23-15-20-3-1-2-4-22(20)17-33-23)30-31(32,28(21)29(25)39-30)13-14-35(26)18-19-5-6-19/h1-4,7,9,15,17,19,24,26,30,36,38H,5-6,8,10-14,16,18H2,(H,34,37)/t24-,26+,30-,31-,32+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 8.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50066278
PNG
(CHEMBL2419120)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)c1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C32H34N4O5/c37-24-8-7-20-14-25-32(40)10-9-22(29-31(32,27(20)28(24)41-29)11-12-36(25)17-18-5-6-18)35-26(38)16-34-30(39)23-13-19-3-1-2-4-21(19)15-33-23/h1-4,7-8,13,15,18,22,25,29,37,40H,5-6,9-12,14,16-17H2,(H,34,39)(H,35,38)/t22-,25+,29-,31-,32+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 9.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50066358
PNG
(CHEMBL2419117)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H37N3O4/c1-33-17-21-5-3-2-4-19(21)14-23(33)29(36)32-22-10-11-31(37)25-15-20-8-9-24(35)27-26(20)30(31,28(22)38-27)12-13-34(25)16-18-6-7-18/h2-5,8-9,18,22-23,25,28,35,37H,6-7,10-17H2,1H3,(H,32,36)/t22-,23-,25+,28-,30-,31+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 9.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50066344
PNG
(CHEMBL2419116)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccccc2c(n1)C#N)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H30N4O4/c32-15-23-20-4-2-1-3-18(20)13-22(33-23)29(37)34-21-9-10-31(38)25-14-19-7-8-24(36)27-26(19)30(31,28(21)39-27)11-12-35(25)16-17-5-6-17/h1-4,7-8,13,17,21,25,28,36,38H,5-6,9-12,14,16H2,(H,34,37)/t21-,25+,28-,30-,31+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50066285
PNG
(CHEMBL2419124)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccccc2c(Cl)n1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C30H30ClN3O4/c31-27-19-4-2-1-3-17(19)13-21(32-27)28(36)33-20-9-10-30(37)23-14-18-7-8-22(35)25-24(18)29(30,26(20)38-25)11-12-34(23)15-16-5-6-16/h1-4,7-8,13,16,20,23,26,35,37H,5-6,9-12,14-15H2,(H,33,36)/t20-,23+,26-,29-,30+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 11n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50292919
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-21(32-28(35)22-13-18-3-1-2-4-20(18)15-31-22)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,21,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t21-,24+,27-,29-,30+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
 13n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50066355
PNG
(CHEMBL3401557)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2cc(OC)c(OC)cc2cn1)ccc3O |r,TLB:10:9:17:4.5.6|
Show InChI InChI=1/C32H35N3O6/c1-39-24-12-19-11-22(33-15-20(19)13-25(24)40-2)30(37)34-21-7-8-32(38)26-14-18-5-6-23(36)28-27(18)31(32,29(21)41-28)9-10-35(26)16-17-3-4-17/h5-6,11-13,15,17,21,26,29,36,38H,3-4,7-10,14,16H2,1-2H3,(H,34,37)/t21-,26+,29-,31-,32+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 13n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM35927
PNG
(3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-am...)
Show SMILES CNCCCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C18H21N/c1-19-12-6-11-18-16-9-4-2-7-14(16)13-15-8-3-5-10-17(15)18/h2-5,7-10,18-19H,6,11-13H2,1H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 13 -44.7n/an/an/an/an/a7.423



Virginia Commonwealth University



Assay Description
Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...

Bioorg Med Chem 17: 6496-504 (2009)


Article DOI: 10.1016/j.bmc.2009.08.016
BindingDB Entry DOI: 10.7270/Q2QJ7FN6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50066276
PNG
(CHEMBL2419118)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)Cc1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H33N3O4/c35-24-8-7-20-14-25-31(37)10-9-23(33-26(36)15-22-13-19-3-1-2-4-21(19)16-32-22)29-30(31,27(20)28(24)38-29)11-12-34(25)17-18-5-6-18/h1-4,7-8,13,16,18,23,25,29,35,37H,5-6,9-12,14-15,17H2,(H,33,36)/t23-,25+,29-,30-,31+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 13n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50066351
PNG
(CHEMBL3401555)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccc(cc2cn1)[N+]([O-])=O)ccc3O |r,TLB:10:9:17:4.5.6|
Show InChI InChI=1/C30H30N4O6/c35-23-6-4-18-13-24-30(37)8-7-21(27-29(30,25(18)26(23)40-27)9-10-33(24)15-16-1-2-16)32-28(36)22-12-17-3-5-20(34(38)39)11-19(17)14-31-22/h3-6,11-12,14,16,21,24,27,35,37H,1-2,7-10,13,15H2,(H,32,36)/t21-,24+,27-,29-,30+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 16n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50066280
PNG
(CHEMBL2419122)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1nc(Cl)c2ccccc2c1O)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C30H30ClN3O5/c31-27-18-4-2-1-3-17(18)24(36)23(33-27)28(37)32-19-9-10-30(38)21-13-16-7-8-20(35)25-22(16)29(30,26(19)39-25)11-12-34(21)14-15-5-6-15/h1-4,7-8,15,19,21,26,35-36,38H,5-6,9-14H2,(H,32,37)/t19-,21+,26-,29-,30+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 17n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50066280
PNG
(CHEMBL2419122)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1nc(Cl)c2ccccc2c1O)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C30H30ClN3O5/c31-27-18-4-2-1-3-17(18)24(36)23(33-27)28(37)32-19-9-10-30(38)21-13-16-7-8-20(35)25-22(16)29(30,26(19)39-25)11-12-34(21)14-15-5-6-15/h1-4,7-8,15,19,21,26,35-36,38H,5-6,9-14H2,(H,32,37)/t19-,21+,26-,29-,30+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 18n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM35920
PNG
(9,10-dihydroanthracene(DHA), 1a | 9-(Aminomethyl)-...)
Show SMILES NCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C15H15N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-8,15H,9-10,16H2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 20 -43.6n/an/an/an/an/a7.423



Virginia Commonwealth University



Assay Description
Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...

Bioorg Med Chem 17: 6496-504 (2009)


Article DOI: 10.1016/j.bmc.2009.08.016
BindingDB Entry DOI: 10.7270/Q2QJ7FN6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50066279
PNG
(CHEMBL2419121)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1nc(Cl)c2ccccc2c1OC)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H32ClN3O5/c1-39-25-18-4-2-3-5-19(18)28(32)34-24(25)29(37)33-20-10-11-31(38)22-14-17-8-9-21(36)26-23(17)30(31,27(20)40-26)12-13-35(22)15-16-6-7-16/h2-5,8-9,16,20,22,27,36,38H,6-7,10-15H2,1H3,(H,33,37)/t20-,22+,27-,30-,31+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 22n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM35928
PNG
(3-(9,10-dihydroanthracen-9-yl)-N,N-dimethylpropan-...)
Show SMILES CN(C)CCCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C19H23N/c1-20(2)13-7-12-19-17-10-5-3-8-15(17)14-16-9-4-6-11-18(16)19/h3-6,8-11,19H,7,12-14H2,1-2H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
 22 -43.4n/an/an/an/an/a7.423



Virginia Commonwealth University



Assay Description
Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...

Bioorg Med Chem 17: 6496-504 (2009)


Article DOI: 10.1016/j.bmc.2009.08.016
BindingDB Entry DOI: 10.7270/Q2QJ7FN6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM35922
PNG
((9,10-Dihydro-anthracen-9-ylmethyl)-dimethyl-amine...)
Show SMILES CN(C)CC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C17H19N/c1-18(2)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-10,17H,11-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 25 -43.4n/an/an/an/an/an/a25



Virginia Commonwealth University



Assay Description
Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...

Bioorg Med Chem 17: 6496-504 (2009)


Article DOI: 10.1016/j.bmc.2009.08.016
BindingDB Entry DOI: 10.7270/Q2QJ7FN6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50066348
PNG
(CHEMBL3401554)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2cc(ccc2cn1)[N+]([O-])=O)ccc3O |r,TLB:10:9:17:4.5.6|
Show InChI InChI=1/C30H30N4O6/c35-23-6-4-17-13-24-30(37)8-7-21(27-29(30,25(17)26(23)40-27)9-10-33(24)15-16-1-2-16)32-28(36)22-12-19-11-20(34(38)39)5-3-18(19)14-31-22/h3-6,11-12,14,16,21,24,27,35,37H,1-2,7-10,13,15H2,(H,32,36)/t21-,24+,27-,29-,30+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 28n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))		BDBM50066346
PNG
(CHEMBL2419125)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccccc2c(C)n1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H33N3O4/c1-17-21-5-3-2-4-19(21)14-23(32-17)29(36)33-22-10-11-31(37)25-15-20-8-9-24(35)27-26(20)30(31,28(22)38-27)12-13-34(25)16-18-6-7-18/h2-5,8-9,14,18,22,25,28,35,37H,6-7,10-13,15-16H2,1H3,(H,33,36)/t22-,25+,28-,30-,31+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 29n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM35926
PNG
(3-(9,10-Dihydro-anthracen-9-yl)-propylamine | 9,10...)
Show SMILES NCCCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C17H19N/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12,18H2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 32 -42.5n/an/an/an/an/a7.423



Virginia Commonwealth University



Assay Description
Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...

Bioorg Med Chem 17: 6496-504 (2009)


Article DOI: 10.1016/j.bmc.2009.08.016
BindingDB Entry DOI: 10.7270/Q2QJ7FN6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50066282
PNG
(CHEMBL2417568)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ncc2ccccc2c1O)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C30H31N3O5/c34-21-8-7-17-13-22-30(37)10-9-20(32-28(36)24-25(35)19-4-2-1-3-18(19)14-31-24)27-29(30,23(17)26(21)38-27)11-12-33(22)15-16-5-6-16/h1-4,7-8,14,16,20,22,27,34-35,37H,5-6,9-13,15H2,(H,32,36)/t20-,22+,27-,29-,30+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 33n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50066279
PNG
(CHEMBL2419121)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1nc(Cl)c2ccccc2c1OC)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H32ClN3O5/c1-39-25-18-4-2-3-5-19(18)28(32)34-24(25)29(37)33-20-10-11-31(38)22-14-17-8-9-21(36)26-23(17)30(31,27(20)40-26)12-13-35(22)15-16-6-7-16/h2-5,8-9,16,20,22,27,36,38H,6-7,10-15H2,1H3,(H,33,37)/t20-,22+,27-,30-,31+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 34n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 220 total )  |  Next  |  Last  >>
Jump to: