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Compile Data Set for Download or QSAR

Found 2666 hits with Last Name = 'huang' and Initial = 'm'   
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
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203205
PNG
((R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


BindingDB Entry DOI: 10.7270/Q28W3GZJ
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209744
PNG
((R)-3-(4-fluorophenyl)-N-((R)-7-(piperidin-1-ylmet...)
Show SMILES Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C31H33F4N3O4S/c32-24-10-8-22(9-11-24)28(37-43(40,41)25-6-4-5-23(18-25)31(33,34)35)19-30(39)36-27-13-16-42-29-17-21(7-12-26(27)29)20-38-14-2-1-3-15-38/h4-12,17-18,27-28,37H,1-3,13-16,19-20H2,(H,36,39)/t27-,28-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
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)


BindingDB Entry DOI: 10.7270/Q28W3GZJ
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)


BindingDB Entry DOI: 10.7270/Q28W3GZJ
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203200
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074509
PNG
(CHEMBL354886 | [3-(2,4-Dibromo-phenyl)-5-methyl-3H...)
Show SMILES CCCC(CCC)Nc1nc(C)nc2n(nnc12)-c1ccc(Br)cc1Br
Show InChI InChI=1S/C18H22Br2N6/c1-4-6-13(7-5-2)23-17-16-18(22-11(3)21-17)26(25-24-16)15-9-8-12(19)10-14(15)20/h8-10,13H,4-7H2,1-3H3,(H,21,22,23)
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0.800n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074501
PNG
(Butyl-ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-ph...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3
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0.840n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074492
PNG
(CHEMBL168554 | [9-(2-Bromo-4-isopropyl-phenyl)-2,8...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)nc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C22H30BrN5/c1-7-9-12-27(8-2)21-20-22(25-15(5)24-21)28(16(6)26-20)19-11-10-17(14(3)4)13-18(19)23/h10-11,13-14H,7-9,12H2,1-6H3
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0.900n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272598
PNG
(6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...)
Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21
Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1
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1n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50237390
PNG
(CHEMBL4099635)
Show SMILES S=C(SSC(=S)N1CCCOCC1)N1CCCOCC1
Show InChI InChI=1S/C12H20N2O2S4/c17-11(13-3-1-7-15-9-5-13)19-20-12(18)14-4-2-8-16-10-6-14/h1-10H2
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1.10n/an/an/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of full length His6-tagged PDK1 (unknown origin) expressed in Escherichia coli using full length His6-tagged PDHA1 as substrate after 30 m...


J Med Chem 60: 2227-2244 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01245
BindingDB Entry DOI: 10.7270/Q2RN3B3M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50236039
PNG
(CHEMBL4092859)
Show SMILES COC[C@@H]1COCCN1C(=S)SSC(=S)N1CCOC[C@H]1COC
Show InChI InChI=1S/C14H24N2O4S4/c1-17-7-11-9-19-5-3-15(11)13(21)23-24-14(22)16-4-6-20-10-12(16)8-18-2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of full length His6-tagged PDK1 (unknown origin) expressed in Escherichia coli using full length His6-tagged PDHA1 as substrate after 30 m...


J Med Chem 60: 2227-2244 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01245
BindingDB Entry DOI: 10.7270/Q2RN3B3M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50237411
PNG
(CHEMBL4081635)
Show SMILES COC[C@H]1COCCN1C(=S)SSC(=S)N1CCOC[C@@H]1COC
Show InChI InChI=1S/C14H24N2O4S4/c1-17-7-11-9-19-5-3-15(11)13(21)23-24-14(22)16-4-6-20-10-12(16)8-18-2/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of full length His6-tagged PDK1 (unknown origin) expressed in Escherichia coli using full length His6-tagged PDHA1 as substrate after 30 m...


J Med Chem 60: 2227-2244 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01245
BindingDB Entry DOI: 10.7270/Q2RN3B3M
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074465
PNG
(CHEMBL354982 | [9-(2-Bromo-4-isopropyl-phenyl)-2-m...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(nc12)C(F)(F)F)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C22H27BrF3N5/c1-6-8-11-30(7-2)19-18-20(28-14(5)27-19)31(21(29-18)22(24,25)26)17-10-9-15(13(3)4)12-16(17)23/h9-10,12-13H,6-8,11H2,1-5H3
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1.40n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074500
PNG
(3-(2-Bromo-4-isopropyl-phenyl)-7-(1-ethyl-pentylox...)
Show SMILES CCCCC(CC)Oc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H28BrN5O/c1-6-8-9-16(7-2)28-21-19-20(23-14(5)24-21)27(26-25-19)18-11-10-15(13(3)4)12-17(18)22/h10-13,16H,6-9H2,1-5H3
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1.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244564
PNG
(4-(naphthalen-2-ylsulfonyl)-3-phenyl-N-((R)-6-(pip...)
Show SMILES O=C(CC(CS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C36H40N2O3S/c39-36(37-35-15-9-14-31-22-27(16-19-34(31)35)25-38-20-7-2-8-21-38)24-32(28-10-3-1-4-11-28)26-42(40,41)33-18-17-29-12-5-6-13-30(29)23-33/h1,3-6,10-13,16-19,22-23,32,35H,2,7-9,14-15,20-21,24-26H2,(H,37,39)/t32?,35-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50058163
PNG
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C
Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
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1.61n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244566
PNG
((2R,3S)-2,3-dihydroxy-4-(naphthalen-2-ylsulfonyl)-...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2ccccc2c1)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C30H36N2O5S/c33-28(20-38(36,37)25-13-12-22-7-2-3-8-23(22)18-25)29(34)30(35)31-27-10-6-9-24-17-21(11-14-26(24)27)19-32-15-4-1-5-16-32/h2-3,7-8,11-14,17-18,27-29,33-34H,1,4-6,9-10,15-16,19-20H2,(H,31,35)/t27-,28-,29-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase


(Homo sapiens (Human))
BDBM50414944
PNG
(CHEMBL121556 | NSC-402538)
Show SMILES S=C(SSC(=S)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2
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1.80n/an/an/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PDK2 (unknown origin) using full length His6-tagged PDHA1 as substrate after 30 mins by ELISA


J Med Chem 60: 2227-2244 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01245
BindingDB Entry DOI: 10.7270/Q2RN3B3M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074482
PNG
(3-(2-Bromo-4-isopropyl-phenyl)-7-(1-methoxymethyl-...)
Show SMILES CCC(COC)Oc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C19H24BrN5O2/c1-6-14(10-26-5)27-19-17-18(21-12(4)22-19)25(24-23-17)16-8-7-13(11(2)3)9-15(16)20/h7-9,11,14H,6,10H2,1-5H3
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1.90n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074470
PNG
(3-(2-Bromo-4-isopropyl-phenyl)-7-(1-ethyl-propoxy)...)
Show SMILES CCC(CC)Oc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C19H24BrN5O/c1-6-14(7-2)26-19-17-18(21-12(5)22-19)25(24-23-17)16-9-8-13(11(3)4)10-15(16)20/h8-11,14H,6-7H2,1-5H3
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1.90n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50008224
PNG
((6aR,9R)-7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,...)
Show SMILES CC[C@@H](C)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H25N3O/c1-4-12(2)22-20(24)14-8-16-15-6-5-7-17-19(15)13(10-21-17)9-18(16)23(3)11-14/h5-8,10,12,14,18,21H,4,9,11H2,1-3H3,(H,22,24)/t12-,14-,18-/m1/s1
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2n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Affinity of the compound in displacing [3H]-8-OH-DPAT from rat hippocampal 5-HT1A receptor.


J Med Chem 35: 203-11 (1992)


Article DOI: 10.1021/jm00080a001
BindingDB Entry DOI: 10.7270/Q2571B03
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)


BindingDB Entry DOI: 10.7270/Q28W3GZJ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074468
PNG
(Butyl-ethyl-[3-(4-isopropyl-2-methylsulfanyl-pheny...)
Show SMILES CCCCN(CC)c1cc(C)nc2n(nnc12)-c1ccc(cc1SC)C(C)C
Show InChI InChI=1S/C22H31N5S/c1-7-9-12-26(8-2)19-13-16(5)23-22-21(19)24-25-27(22)18-11-10-17(15(3)4)14-20(18)28-6/h10-11,13-15H,7-9,12H2,1-6H3
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2.20n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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2.60n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace 0.25 nM [125I](R)-DOI from binding sites in rat frontal cortex.


J Med Chem 34: 276-81 (1991)


Article DOI: 10.1021/jm00105a043
BindingDB Entry DOI: 10.7270/Q2SN0C6J
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)


BindingDB Entry DOI: 10.7270/Q28W3GZJ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074474
PNG
(CHEMBL166669 | [3-(2-Bromo-4-isopropyl-phenyl)-5-m...)
Show SMILES CCCC(CC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C20H27BrN6/c1-6-8-15(7-2)24-19-18-20(23-13(5)22-19)27(26-25-18)17-10-9-14(12(3)4)11-16(17)21/h9-12,15H,6-8H2,1-5H3,(H,22,23,24)
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2.80n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074459
PNG
(9-(2-Bromo-4-isopropyl-phenyl)-6-(1-ethyl-pentylox...)
Show SMILES CCCCC(CC)Oc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C22H29BrN4O/c1-6-8-9-17(7-2)28-22-20-21(25-15(5)26-22)27(13-24-20)19-11-10-16(14(3)4)12-18(19)23/h10-14,17H,6-9H2,1-5H3
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2.90n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074458
PNG
(CHEMBL9633 | [3-(2-Bromo-4,6-dimethoxy-phenyl)-5-m...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(nnc12)-c1c(Br)cc(OC)cc1OC
Show InChI InChI=1S/C19H25BrN6O2/c1-6-8-9-25(7-2)18-16-19(22-12(3)21-18)26(24-23-16)17-14(20)10-13(27-4)11-15(17)28-5/h10-11H,6-9H2,1-5H3
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3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074452
PNG
(CHEMBL169952 | [3-(2-Bromo-4-isopropyl-phenyl)-5-m...)
Show SMILES CCCCC(CC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H29BrN6/c1-6-8-9-16(7-2)25-20-19-21(24-14(5)23-20)28(27-26-19)18-11-10-15(13(3)4)12-17(18)22/h10-13,16H,6-9H2,1-5H3,(H,23,24,25)
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3.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50228820
PNG
(CHEMBL94982)
Show SMILES COc1cc(Br)c2OCCc2c1CC(C)N
Show InChI InChI=1S/C12H16BrNO2/c1-7(14)5-9-8-3-4-16-12(8)10(13)6-11(9)15-2/h6-7H,3-5,14H2,1-2H3
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3.10n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace 0.25 nM [125I](R)-DOI from binding sites in rat frontal cortex.


J Med Chem 34: 276-81 (1991)


Article DOI: 10.1021/jm00105a043
BindingDB Entry DOI: 10.7270/Q2SN0C6J
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074453
PNG
(CHEMBL171202 | [3-(2-Bromo-4-isopropyl-phenyl)-5-m...)
Show SMILES CCCCN(CC)c1cc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H28BrN5/c1-6-8-11-26(7-2)19-12-15(5)23-21-20(19)24-25-27(21)18-10-9-16(14(3)4)13-17(18)22/h9-10,12-14H,6-8,11H2,1-5H3
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3.20n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074522
PNG
(CHEMBL354940 | [9-(2-Bromo-4,6-dimethoxy-phenyl)-2...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cnc12)-c1c(Br)cc(OC)cc1OC
Show InChI InChI=1S/C20H26BrN5O2/c1-6-8-9-25(7-2)19-17-20(24-13(3)23-19)26(12-22-17)18-15(21)10-14(27-4)11-16(18)28-5/h10-12H,6-9H2,1-5H3
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3.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074542
PNG
(9-(2-Bromo-4-isopropyl-phenyl)-6-(1-ethyl-propoxy)...)
Show SMILES CCC(CC)Oc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C20H25BrN4O/c1-6-15(7-2)26-20-18-19(23-13(5)24-20)25(11-22-18)17-9-8-14(12(3)4)10-16(17)21/h8-12,15H,6-7H2,1-5H3
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3.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074496
PNG
(Butyl-[9-(2-chloro-4,6-dimethoxy-phenyl)-2,8-dimet...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)nc12)-c1c(Cl)cc(OC)cc1OC
Show InChI InChI=1S/C21H28ClN5O2/c1-7-9-10-26(8-2)20-18-21(24-13(3)23-20)27(14(4)25-18)19-16(22)11-15(28-5)12-17(19)29-6/h11-12H,7-10H2,1-6H3
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3.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074546
PNG
(CHEMBL169430 | [9-(2-Bromo-4-isopropyl-phenyl)-2-m...)
Show SMILES CCCC(CCC)Nc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C22H30BrN5/c1-6-8-17(9-7-2)27-21-20-22(26-15(5)25-21)28(13-24-20)19-11-10-16(14(3)4)12-18(19)23/h10-14,17H,6-9H2,1-5H3,(H,25,26,27)
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3.60n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209743
PNG
((R)-N-((R)-7-(morpholinomethyl)chroman-4-yl)-3-(na...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCOCC3)ccc12
Show InChI InChI=1S/C33H35N3O5S/c37-33(34-30-14-17-41-32-20-24(10-13-29(30)32)23-36-15-18-40-19-16-36)22-31(26-7-2-1-3-8-26)35-42(38,39)28-12-11-25-6-4-5-9-27(25)21-28/h1-13,20-21,30-31,35H,14-19,22-23H2,(H,34,37)/t30-,31-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074456
PNG
(CHEMBL10504 | SC241 | [3-(2-Bromo-4-isopropyl-phen...)
Show SMILES COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C20H27BrN6O2/c1-13(2)15-6-7-17(16(21)12-15)27-20-18(24-25-27)19(22-14(3)23-20)26(8-10-28-4)9-11-29-5/h6-7,12-13H,8-11H2,1-5H3
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3.70n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074495
PNG
(CHEMBL355049 | [3-(2-Bromo-4-isopropyl-phenyl)-2,5...)
Show SMILES CCCCN(CC)c1cc(C)nc2n(c(C)nc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C23H31BrN4/c1-7-9-12-27(8-2)21-13-16(5)25-23-22(21)26-17(6)28(23)20-11-10-18(15(3)4)14-19(20)24/h10-11,13-15H,7-9,12H2,1-6H3
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3.90n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074525
PNG
(CHEMBL355689 | [5-Methyl-3-(2,4,6-trimethyl-phenyl...)
Show SMILES CCCC(CCC)Nc1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C
Show InChI InChI=1S/C21H30N6/c1-7-9-17(10-8-2)24-20-18-21(23-16(6)22-20)27(26-25-18)19-14(4)11-13(3)12-15(19)5/h11-12,17H,7-10H2,1-6H3,(H,22,23,24)
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4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244617
PNG
((2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmeth...)
Show SMILES O[C@H](CS(=O)(=O)c1cccc(c1)C(F)(F)F)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C27H33F3N2O5S/c28-27(29,30)20-7-5-8-21(15-20)38(36,37)17-24(33)25(34)26(35)31-23-9-4-6-19-14-18(10-11-22(19)23)16-32-12-2-1-3-13-32/h5,7-8,10-11,14-15,23-25,33-34H,1-4,6,9,12-13,16-17H2,(H,31,35)/t23-,24-,25-/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074520
PNG
(Allyl-[3-(2-bromo-4-isopropyl-phenyl)-5-methyl-3H-...)
Show SMILES COCCN(CC=C)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C20H25BrN6O/c1-6-9-26(10-11-28-5)19-18-20(23-14(4)22-19)27(25-24-18)17-8-7-15(13(2)3)12-16(17)21/h6-8,12-13H,1,9-11H2,2-5H3
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4.30n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
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)


BindingDB Entry DOI: 10.7270/Q28W3GZJ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074472
PNG
(CHEMBL352340 | [9-(2-Bromo-4-isopropyl-phenyl)-2-m...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H28BrN5/c1-6-8-11-26(7-2)20-19-21(25-15(5)24-20)27(13-23-19)18-10-9-16(14(3)4)12-17(18)22/h9-10,12-14H,6-8,11H2,1-5H3
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4.30n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074447
PNG
(Butyl-[3-(2-chloro-4,6-dimethoxy-phenyl)-5-methyl-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(nnc12)-c1c(Cl)cc(OC)cc1OC
Show InChI InChI=1S/C19H25ClN6O2/c1-6-8-9-25(7-2)18-16-19(22-12(3)21-18)26(24-23-16)17-14(20)10-13(27-4)11-15(17)28-5/h10-11H,6-9H2,1-5H3
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4.40n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074534
PNG
(CHEMBL367110 | [9-(2-Bromo-4-isopropyl-phenyl)-2-m...)
Show SMILES CCCC(CC)Nc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H28BrN5/c1-6-8-16(7-2)26-20-19-21(25-14(5)24-20)27(12-23-19)18-10-9-15(13(3)4)11-17(18)22/h9-13,16H,6-8H2,1-5H3,(H,24,25,26)
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4.40n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074454
PNG
(CHEMBL169781 | [3-(2-Bromo-4-isopropyl-phenyl)-5-m...)
Show SMILES CCCCC(CCCC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C23H33BrN6/c1-6-8-10-18(11-9-7-2)27-22-21-23(26-16(5)25-22)30(29-28-21)20-13-12-17(15(3)4)14-19(20)24/h12-15,18H,6-11H2,1-5H3,(H,25,26,27)
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4.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50414944
PNG
(CHEMBL121556 | NSC-402538)
Show SMILES S=C(SSC(=S)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2
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4.60n/an/an/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of full length His6-tagged PDK1 (unknown origin) expressed in Escherichia coli using full length His6-tagged PDHA1 as substrate after 30 m...


J Med Chem 60: 2227-2244 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01245
BindingDB Entry DOI: 10.7270/Q2RN3B3M
More data for this
Ligand-Target Pair
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