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Compile Data Set for Download or QSAR

Found 3658 hits with Last Name = 'shao' and Initial = 'l'   
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


(Homo sapiens (Human))
BDBM50463297
PNG
(CHEMBL4246433)
Show SMILES COc1ccc(cc1)C(O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H41NO5/c1-30(28(35)21-7-10-23(36-2)11-8-21)19-31-13-14-33(30,38-4)29-32(31)15-16-34(18-20-5-6-20)25(31)17-22-9-12-24(37-3)27(39-29)26(22)32/h7-12,20,25,28-29,35H,5-6,13-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463294
PNG
(CHEMBL4249256)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35C[C@@H]1C(=O)c1ccccc1
Show InChI InChI=1S/C31H33NO4/c1-34-23-11-10-21-16-24-29-12-13-31(35-2,22(17-29)26(33)20-6-4-3-5-7-20)28-30(29,25(21)27(23)36-28)14-15-32(24)18-19-8-9-19/h3-7,10-13,19,22,24,28H,8-9,14-18H2,1-2H3/t22-,24-,28-,29-,30+,31-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50498973
PNG
(CHEMBL3734934)
Show SMILES CC(C)n1c(CO)nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)[C@H](F)C3)cc12
Show InChI InChI=1S/C19H24FN7O2/c1-11(2)27-14-7-17(22-8-13(14)23-18(27)10-28)24-16-3-5-21-19(25-16)26-6-4-15(29)12(20)9-26/h3,5,7-8,11-12,15,28-29H,4,6,9-10H2,1-2H3,(H,21,22,24,25)/t12-,15+/m1/s1
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>0.530n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human wild type EGFR using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substrate measured afte...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463297
PNG
(CHEMBL4246433)
Show SMILES COc1ccc(cc1)C(O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H41NO5/c1-30(28(35)21-7-10-23(36-2)11-8-21)19-31-13-14-33(30,38-4)29-32(31)15-16-34(18-20-5-6-20)25(31)17-22-9-12-24(37-3)27(39-29)26(22)32/h7-12,20,25,28-29,35H,5-6,13-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498986
PNG
(CHEMBL3736121)
Show SMILES CO[C@H]1CCN(C[C@H]1F)c1nccc(Nc2cc3n([C@H](C)C(F)(F)F)c(nc3cn2)[C@@H](C)O)n1
Show InChI InChI=1S/C21H25F4N7O2/c1-11(33)19-28-14-9-27-18(8-15(14)32(19)12(2)21(23,24)25)29-17-4-6-26-20(30-17)31-7-5-16(34-3)13(22)10-31/h4,6,8-9,11-13,16,33H,5,7,10H2,1-3H3,(H,26,27,29,30)/t11-,12-,13-,16+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463293
PNG
(CHEMBL4242847)
Show SMILES COc1cccc(c1)C(O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H41NO5/c1-30(28(35)22-6-5-7-23(16-22)36-2)19-31-12-13-33(30,38-4)29-32(31)14-15-34(18-20-8-9-20)25(31)17-21-10-11-24(37-3)27(39-29)26(21)32/h5-7,10-11,16,20,25,28-29,35H,8-9,12-15,17-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498974
PNG
(CHEMBL3734988)
Show SMILES C[C@@H](O)c1nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)[C@H](F)C3)cc2n1[C@H](C)C(F)(F)F
Show InChI InChI=1S/C20H23F4N7O2/c1-10(32)18-27-13-8-26-17(7-14(13)31(18)11(2)20(22,23)24)28-16-3-5-25-19(29-16)30-6-4-15(33)12(21)9-30/h3,5,7-8,10-12,15,32-33H,4,6,9H2,1-2H3,(H,25,26,28,29)/t10-,11-,12-,15+/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463284
PNG
(CHEMBL4245818)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)CO)OC
Show InChI InChI=1S/C26H35NO4/c1-23(15-28)14-24-8-9-26(23,30-3)22-25(24)10-11-27(13-16-4-5-16)19(24)12-17-6-7-18(29-2)21(31-22)20(17)25/h6-7,16,19,22,28H,4-5,8-15H2,1-3H3/t19-,22-,23-,24-,25+,26+/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498976
PNG
(CHEMBL3736183)
Show SMILES CO[C@H]1CCN(C[C@H]1F)c1nccc(Nc2cc3n(C(C)C)c(C)nc3cn2)n1
Show InChI InChI=1S/C20H26FN7O/c1-12(2)28-13(3)24-15-10-23-19(9-16(15)28)25-18-5-7-22-20(26-18)27-8-6-17(29-4)14(21)11-27/h5,7,9-10,12,14,17H,6,8,11H2,1-4H3,(H,22,23,25,26)/t14-,17+/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463292
PNG
(CHEMBL4243649)
Show SMILES COc1cccc(c1)C(=O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H39NO5/c1-30(28(35)22-6-5-7-23(16-22)36-2)19-31-12-13-33(30,38-4)29-32(31)14-15-34(18-20-8-9-20)25(31)17-21-10-11-24(37-3)27(39-29)26(21)32/h5-7,10-11,16,20,25,29H,8-9,12-15,17-19H2,1-4H3/t25-,29-,30-,31-,32+,33+/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498989
PNG
(CHEMBL3734933)
Show SMILES CO[C@H]1CCN(C[C@H]1F)c1nccc(Nc2cc3n(C(C)C)c(CO)nc3cn2)n1
Show InChI InChI=1S/C20H26FN7O2/c1-12(2)28-15-8-18(23-9-14(15)24-19(28)11-29)25-17-4-6-22-20(26-17)27-7-5-16(30-3)13(21)10-27/h4,6,8-9,12-13,16,29H,5,7,10-11H2,1-3H3,(H,22,23,25,26)/t13-,16+/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463289
PNG
(CHEMBL4248801)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C=O)OC
Show InChI InChI=1S/C26H33NO4/c1-23(15-28)14-24-8-9-26(23,30-3)22-25(24)10-11-27(13-16-4-5-16)19(24)12-17-6-7-18(29-2)21(31-22)20(17)25/h6-7,15-16,19,22H,4-5,8-14H2,1-3H3/t19-,22-,23-,24-,25+,26+/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498974
PNG
(CHEMBL3734988)
Show SMILES C[C@@H](O)c1nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)[C@H](F)C3)cc2n1[C@H](C)C(F)(F)F
Show InChI InChI=1S/C20H23F4N7O2/c1-10(32)18-27-13-8-26-17(7-14(13)31(18)11(2)20(22,23)24)28-16-3-5-25-19(29-16)30-6-4-15(33)12(21)9-30/h3,5,7-8,10-12,15,32-33H,4,6,9H2,1-2H3,(H,25,26,28,29)/t10-,11-,12-,15+/m1/s1
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6n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/del (746 to 750) deletion mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by additi...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463293
PNG
(CHEMBL4242847)
Show SMILES COc1cccc(c1)C(O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H41NO5/c1-30(28(35)22-6-5-7-23(16-22)36-2)19-31-12-13-33(30,38-4)29-32(31)14-15-34(18-20-8-9-20)25(31)17-21-10-11-24(37-3)27(39-29)26(21)32/h5-7,10-11,16,20,25,28-29,35H,8-9,12-15,17-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498986
PNG
(CHEMBL3736121)
Show SMILES CO[C@H]1CCN(C[C@H]1F)c1nccc(Nc2cc3n([C@H](C)C(F)(F)F)c(nc3cn2)[C@@H](C)O)n1
Show InChI InChI=1S/C21H25F4N7O2/c1-11(33)19-28-14-9-27-18(8-15(14)32(19)12(2)21(23,24)25)29-17-4-6-26-20(30-17)31-7-5-16(34-3)13(22)10-31/h4,6,8-9,11-13,16,33H,5,7,10H2,1-3H3,(H,26,27,29,30)/t11-,12-,13-,16+/m1/s1
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7n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/del (746 to 750) deletion mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by additi...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463287
PNG
(CHEMBL4238309)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)OC(=O)c1ccc(cc1)C(F)(F)F)OC
Show InChI InChI=1S/C33H36F3NO5/c1-29(42-27(38)20-6-9-22(10-7-20)33(34,35)36)18-30-12-13-32(29,40-3)28-31(30)14-15-37(17-19-4-5-19)24(30)16-21-8-11-23(39-2)26(41-28)25(21)31/h6-11,19,24,28H,4-5,12-18H2,1-3H3/t24-,28-,29+,30-,31+,32+/m1/s1
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7.10n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463290
PNG
(CHEMBL4241031)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)OC(C)=O)OC
Show InChI InChI=1S/C27H35NO5/c1-16(29)33-24(2)15-25-9-10-27(24,31-4)23-26(25)11-12-28(14-17-5-6-17)20(25)13-18-7-8-19(30-3)22(32-23)21(18)26/h7-8,17,20,23H,5-6,9-15H2,1-4H3/t20-,23-,24+,25-,26+,27+/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498990
PNG
(CHEMBL3735474)
Show SMILES CO[C@H]1CCN(CC1(F)F)c1nccc(Nc2cc3n(C(C)C)c(CO)nc3cn2)n1
Show InChI InChI=1S/C20H25F2N7O2/c1-12(2)29-14-8-17(24-9-13(14)25-18(29)10-30)26-16-4-6-23-19(27-16)28-7-5-15(31-3)20(21,22)11-28/h4,6,8-9,12,15,30H,5,7,10-11H2,1-3H3,(H,23,24,26,27)/t15-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463290
PNG
(CHEMBL4241031)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)OC(C)=O)OC
Show InChI InChI=1S/C27H35NO5/c1-16(29)33-24(2)15-25-9-10-27(24,31-4)23-26(25)11-12-28(14-17-5-6-17)20(25)13-18-7-8-19(30-3)22(32-23)21(18)26/h7-8,17,20,23H,5-6,9-15H2,1-4H3/t20-,23-,24+,25-,26+,27+/m1/s1
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9n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463286
PNG
(CHEMBL4239240)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C(O)c1ccc(cc1)C(F)(F)F)OC
Show InChI InChI=1S/C33H38F3NO4/c1-29(27(38)20-6-9-22(10-7-20)33(34,35)36)18-30-12-13-32(29,40-3)28-31(30)14-15-37(17-19-4-5-19)24(30)16-21-8-11-23(39-2)26(41-28)25(21)31/h6-11,19,24,27-28,38H,4-5,12-18H2,1-3H3/t24-,27?,28-,29-,30-,31+,32+/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498985
PNG
(CHEMBL3734786)
Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)C(F)(F)C3)cc12
Show InChI InChI=1S/C19H23F2N7O/c1-11(2)28-12(3)24-13-9-23-17(8-14(13)28)25-16-4-6-22-18(26-16)27-7-5-15(29)19(20,21)10-27/h4,6,8-9,11,15,29H,5,7,10H2,1-3H3,(H,22,23,25,26)/t15-/m0/s1
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9.5n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463292
PNG
(CHEMBL4243649)
Show SMILES COc1cccc(c1)C(=O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H39NO5/c1-30(28(35)22-6-5-7-23(16-22)36-2)19-31-12-13-33(30,38-4)29-32(31)14-15-34(18-20-8-9-20)25(31)17-21-10-11-24(37-3)27(39-29)26(21)32/h5-7,10-11,16,20,25,29H,8-9,12-15,17-19H2,1-4H3/t25-,29-,30-,31-,32+,33+/m1/s1
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11n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50499002
PNG
(CHEMBL3735958)
Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)[C@H](F)C3)cc12
Show InChI InChI=1S/C19H24FN7O/c1-11(2)27-12(3)23-14-9-22-18(8-15(14)27)24-17-4-6-21-19(25-17)26-7-5-16(28)13(20)10-26/h4,6,8-9,11,13,16,28H,5,7,10H2,1-3H3,(H,21,22,24,25)/t13-,16+/m1/s1
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13n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463286
PNG
(CHEMBL4239240)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C(O)c1ccc(cc1)C(F)(F)F)OC
Show InChI InChI=1S/C33H38F3NO4/c1-29(27(38)20-6-9-22(10-7-20)33(34,35)36)18-30-12-13-32(29,40-3)28-31(30)14-15-37(17-19-4-5-19)24(30)16-21-8-11-23(39-2)26(41-28)25(21)31/h6-11,19,24,27-28,38H,4-5,12-18H2,1-3H3/t24-,27?,28-,29-,30-,31+,32+/m1/s1
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13n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498978
PNG
(CHEMBL3735250)
Show SMILES CCC(C)n1cnc2cnc(Nc3ccnc(n3)N3CCC(CC3)OC)cc12
Show InChI InChI=1S/C20H27N7O/c1-4-14(2)27-13-23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(28-3)7-10-26/h5,8,11-15H,4,6-7,9-10H2,1-3H3,(H,21,22,24,25)
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14n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498973
PNG
(CHEMBL3734934)
Show SMILES CC(C)n1c(CO)nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)[C@H](F)C3)cc12
Show InChI InChI=1S/C19H24FN7O2/c1-11(2)27-14-7-17(22-8-13(14)23-18(27)10-28)24-16-3-5-21-19(25-16)26-6-4-15(29)12(20)9-26/h3,5,7-8,11-12,15,28-29H,4,6,9-10H2,1-2H3,(H,21,22,24,25)/t12-,15+/m1/s1
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16n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50106245
PNG
(2-{4-hydroxy-3-hydroxymethyl-2-(3-hydroxypropyl)-4...)
Show SMILES C[C@H]1CC=C(C)[C@@H](\C=C\C(\C)=C/CC[C@@]2(CO)[C@H](CCCO)\C(CC[C@]2(C)O)=C(\C)C=O)C1(C)C
Show InChI InChI=1S/C31H50O4/c1-22(12-15-27-23(2)13-14-25(4)29(27,5)6)10-8-17-31(21-34)28(11-9-19-32)26(24(3)20-33)16-18-30(31,7)35/h10,12-13,15,20,25,27-28,32,34-35H,8-9,11,14,16-19,21H2,1-7H3/b15-12+,22-10-,26-24-/t25-,27+,28+,30-,31+/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Michigan Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity for RasGPR3, guanine nucleotide exchange factor


J Med Chem 44: 3872-80 (2001)


Article DOI: 10.1021/jm010258f
BindingDB Entry DOI: 10.7270/Q2Z037F5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498978
PNG
(CHEMBL3735250)
Show SMILES CCC(C)n1cnc2cnc(Nc3ccnc(n3)N3CCC(CC3)OC)cc12
Show InChI InChI=1S/C20H27N7O/c1-4-14(2)27-13-23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(28-3)7-10-26/h5,8,11-15H,4,6-7,9-10H2,1-3H3,(H,21,22,24,25)
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17n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463282
PNG
(CHEMBL4243463)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C(O)c1ccc(cc1)-c1ccccc1)OC
Show InChI InChI=1S/C38H43NO4/c1-35(33(40)27-13-11-26(12-14-27)25-7-5-4-6-8-25)23-36-17-18-38(35,42-3)34-37(36)19-20-39(22-24-9-10-24)30(36)21-28-15-16-29(41-2)32(43-34)31(28)37/h4-8,11-16,24,30,33-34,40H,9-10,17-23H2,1-3H3/t30-,33?,34-,35-,36-,37+,38+/m1/s1
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17n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498994
PNG
(CHEMBL3735335)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C2CCCCC2)n1
Show InChI InChI=1S/C22H29N7O/c1-30-17-8-11-28(12-9-17)22-23-10-7-20(27-22)26-21-13-19-18(14-24-21)25-15-29(19)16-5-3-2-4-6-16/h7,10,13-17H,2-6,8-9,11-12H2,1H3,(H,23,24,26,27)
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18n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498977
PNG
(CHEMBL3736508)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(C)nc3cn2)n1
Show InChI InChI=1S/C20H27N7O/c1-13(2)27-14(3)23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(28-4)7-10-26/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,21,22,24,25)
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19n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50463297
PNG
(CHEMBL4246433)
Show SMILES COc1ccc(cc1)C(O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H41NO5/c1-30(28(35)21-7-10-23(36-2)11-8-21)19-31-13-14-33(30,38-4)29-32(31)15-16-34(18-20-5-6-20)25(31)17-22-9-12-24(37-3)27(39-29)26(22)32/h7-12,20,25,28-29,35H,5-6,13-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1
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19n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50499001
PNG
(CHEMBL3734877)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(CO)nc3cn2)n1
Show InChI InChI=1S/C20H27N7O2/c1-13(2)27-16-10-18(22-11-15(16)23-19(27)12-28)24-17-4-7-21-20(25-17)26-8-5-14(29-3)6-9-26/h4,7,10-11,13-14,28H,5-6,8-9,12H2,1-3H3,(H,21,22,24,25)
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19n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498980
PNG
(CHEMBL3734825)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C2CCCC2)n1
Show InChI InChI=1S/C21H27N7O/c1-29-16-7-10-27(11-8-16)21-22-9-6-19(26-21)25-20-12-18-17(13-23-20)24-14-28(18)15-4-2-3-5-15/h6,9,12-16H,2-5,7-8,10-11H2,1H3,(H,22,23,25,26)
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20n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498978
PNG
(CHEMBL3735250)
Show SMILES CCC(C)n1cnc2cnc(Nc3ccnc(n3)N3CCC(CC3)OC)cc12
Show InChI InChI=1S/C20H27N7O/c1-4-14(2)27-13-23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(28-3)7-10-26/h5,8,11-15H,4,6-7,9-10H2,1-3H3,(H,21,22,24,25)
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22n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498984
PNG
(CHEMBL3735689)
Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(NCC(C)(C)C(N)=O)n3)cc12
Show InChI InChI=1S/C19H26N8O/c1-11(2)27-12(3)24-13-9-22-16(8-14(13)27)25-15-6-7-21-18(26-15)23-10-19(4,5)17(20)28/h6-9,11H,10H2,1-5H3,(H2,20,28)(H2,21,22,23,25,26)
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22n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498983
PNG
(CHEMBL3736395)
Show SMILES COC1(CO)CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(C)nc3cn2)n1
Show InChI InChI=1S/C21H29N7O2/c1-14(2)28-15(3)24-16-12-23-19(11-17(16)28)25-18-5-8-22-20(26-18)27-9-6-21(13-29,30-4)7-10-27/h5,8,11-12,14,29H,6-7,9-10,13H2,1-4H3,(H,22,23,25,26)
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24n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50463293
PNG
(CHEMBL4242847)
Show SMILES COc1cccc(c1)C(O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H41NO5/c1-30(28(35)22-6-5-7-23(16-22)36-2)19-31-12-13-33(30,38-4)29-32(31)14-15-34(18-20-8-9-20)25(31)17-21-10-11-24(37-3)27(39-29)26(21)32/h5-7,10-11,16,20,25,28-29,35H,8-9,12-15,17-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1
PDB

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26n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50499005
PNG
(CHEMBL3736365)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C(C)C(F)(F)F)n1
Show InChI InChI=1S/C19H22F3N7O/c1-12(19(20,21)22)29-11-25-14-10-24-17(9-15(14)29)26-16-3-6-23-18(27-16)28-7-4-13(30-2)5-8-28/h3,6,9-13H,4-5,7-8H2,1-2H3,(H,23,24,26,27)
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27n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463296
PNG
(CHEMBL4237854)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)OC(=O)C(C)C)OC
Show InChI InChI=1S/C29H39NO5/c1-17(2)24(31)35-26(3)16-27-10-11-29(26,33-5)25-28(27)12-13-30(15-18-6-7-18)21(27)14-19-8-9-20(32-4)23(34-25)22(19)28/h8-9,17-18,21,25H,6-7,10-16H2,1-5H3/t21-,25-,26+,27-,28+,29+/m1/s1
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28n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50498999
PNG
(CHEMBL3736430)
Show SMILES COC1(CCN)CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(C)nc3cn2)n1
Show InChI InChI=1S/C22H32N8O/c1-15(2)30-16(3)26-17-14-25-20(13-18(17)30)27-19-5-10-24-21(28-19)29-11-7-22(31-4,6-9-23)8-12-29/h5,10,13-15H,6-9,11-12,23H2,1-4H3,(H,24,25,27,28)
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28n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463284
PNG
(CHEMBL4245818)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)CO)OC
Show InChI InChI=1S/C26H35NO4/c1-23(15-28)14-24-8-9-26(23,30-3)22-25(24)10-11-27(13-16-4-5-16)19(24)12-17-6-7-18(29-2)21(31-22)20(17)25/h6-7,16,19,22,28H,4-5,8-15H2,1-3H3/t19-,22-,23-,24-,25+,26+/m1/s1
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30n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463281
PNG
(CHEMBL4240426)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C(=O)c1ccccc1)OC
Show InChI InChI=1S/C32H37NO4/c1-29(27(34)21-7-5-4-6-8-21)19-30-13-14-32(29,36-3)28-31(30)15-16-33(18-20-9-10-20)24(30)17-22-11-12-23(35-2)26(37-28)25(22)31/h4-8,11-12,20,24,28H,9-10,13-19H2,1-3H3/t24-,28-,29-,30-,31+,32+/m1/s1
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33n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50499003
PNG
(CHEMBL3735533)
Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(n3)N3CCC(O)CC3)cc12
Show InChI InChI=1S/C19H25N7O/c1-12(2)26-13(3)22-15-11-21-18(10-16(15)26)23-17-4-7-20-19(24-17)25-8-5-14(27)6-9-25/h4,7,10-12,14,27H,5-6,8-9H2,1-3H3,(H,20,21,23,24)
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34n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463296
PNG
(CHEMBL4237854)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)OC(=O)C(C)C)OC
Show InChI InChI=1S/C29H39NO5/c1-17(2)24(31)35-26(3)16-27-10-11-29(26,33-5)25-28(27)12-13-30(15-18-6-7-18)21(27)14-19-8-9-20(32-4)23(34-25)22(19)28/h8-9,17-18,21,25H,6-7,10-16H2,1-5H3/t21-,25-,26+,27-,28+,29+/m1/s1
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34n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50499010
PNG
(CHEMBL3735782)
Show SMILES CC(C)n1c(C)nc2cnc(Nc3ccnc(NCC(C)(C)S(C)(=O)=O)n3)cc12
Show InChI InChI=1S/C19H27N7O2S/c1-12(2)26-13(3)23-14-10-21-17(9-15(14)26)24-16-7-8-20-18(25-16)22-11-19(4,5)29(6,27)28/h7-10,12H,11H2,1-6H3,(H2,20,21,22,24,25)
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38n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463291
PNG
(CHEMBL4237758)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C(O)c1ccccc1)OC
Show InChI InChI=1S/C32H39NO4/c1-29(27(34)21-7-5-4-6-8-21)19-30-13-14-32(29,36-3)28-31(30)15-16-33(18-20-9-10-20)24(30)17-22-11-12-23(35-2)26(37-28)25(22)31/h4-8,11-12,20,24,27-28,34H,9-10,13-19H2,1-3H3/t24-,27?,28-,29-,30-,31+,32+/m1/s1
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38n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463288
PNG
(CHEMBL4238289)
Show SMILES COc1ccc(cc1)C(=O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H39NO5/c1-30(28(35)21-7-10-23(36-2)11-8-21)19-31-13-14-33(30,38-4)29-32(31)15-16-34(18-20-5-6-20)25(31)17-22-9-12-24(37-3)27(39-29)26(22)32/h7-12,20,25,29H,5-6,13-19H2,1-4H3/t25-,29-,30-,31-,32+,33+/m1/s1
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39n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50032628
PNG
(CHEMBL3354190)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C(C)C)n1
Show InChI InChI=1S/C19H25N7O/c1-13(2)26-12-22-15-11-21-18(10-16(15)26)23-17-4-7-20-19(24-17)25-8-5-14(27-3)6-9-25/h4,7,10-14H,5-6,8-9H2,1-3H3,(H,20,21,23,24)
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40n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substra...


J Med Chem 58: 8877-95 (2015)

More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50106244
PNG
(6-[9-[1-formyl-(Z)-ethylidene]-1,6-dihydroxy-10-(3...)
Show SMILES CC(C)=CCC\C(COC(C)=O)=C\C=C\C(=C)[C@@H]1CC[C@@]2([C@@H]1O)[C@H](CCCO)\C(CC[C@]2(C)O)=C(\C)C=O
Show InChI InChI=1S/C32H48O6/c1-22(2)10-7-12-26(21-38-25(5)35)13-8-11-23(3)28-16-18-32(30(28)36)29(14-9-19-33)27(24(4)20-34)15-17-31(32,6)37/h8,10-11,13,20,28-30,33,36-37H,3,7,9,12,14-19,21H2,1-2,4-6H3/b11-8+,26-13-,27-24-/t28-,29+,30+,31-,32-/m0/s1
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42n/an/an/an/an/an/an/an/a



University of Michigan Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity for RasGPR3, guanine nucleotide exchange factor


J Med Chem 44: 3872-80 (2001)


Article DOI: 10.1021/jm010258f
BindingDB Entry DOI: 10.7270/Q2Z037F5
More data for this
Ligand-Target Pair
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