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Compile Data Set for Download or QSAR

Found 346 hits with Last Name = 'takaoka' and Initial = 'y'   
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
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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25n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 1 in human RBC cells by SDS-PAGE/fluorescence gel imaging


Nat Chem Biol 5: 341-3 (2009)


Article DOI: 10.1038/nchembio.157
BindingDB Entry DOI: 10.7270/Q2W37WHV
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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3.30E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 1 in human RBC cells by SDS-PAGE/fluorescence gel imaging


Nat Chem Biol 5: 341-3 (2009)


Article DOI: 10.1038/nchembio.157
BindingDB Entry DOI: 10.7270/Q2W37WHV
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM4703
PNG
(4-carboxybenzenesulfonamide 1 | 4-sulfamoylbenzoic...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
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3.40E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 1 in human RBC cells by SDS-PAGE/fluorescence gel imaging


Nat Chem Biol 5: 341-3 (2009)


Article DOI: 10.1038/nchembio.157
BindingDB Entry DOI: 10.7270/Q2W37WHV
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50377933
PNG
(CHEMBL1744354)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNCCNc1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H17FN6O/c16-12-5-13(7-18)22(10-12)15(23)9-19-3-4-20-14-2-1-11(6-17)8-21-14/h1-2,8,12-13,19H,3-5,9-10H2,(H,20,21)/t12-,13-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50198936
PNG
((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C1CCCCC1
Show InChI InChI=1S/C32H43N3O4/c1-2-3-20-35-30(37)28(29(36)25-10-6-4-7-11-25)33-31(38)32(35)18-21-34(22-19-32)23-24-14-16-27(17-15-24)39-26-12-8-5-9-13-26/h5,8-9,12-17,25,28-29,36H,2-4,6-7,10-11,18-23H2,1H3,(H,33,38)/t28-,29-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cells


Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242595
PNG
(CHEMBL487860 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CNC(=O)c1ccc2nn[nH]c2c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C18H22FN7O2/c1-18(2,22-8-16(27)26-9-12(19)6-13(26)7-20)10-21-17(28)11-3-4-14-15(5-11)24-25-23-14/h3-5,12-13,22H,6,8-10H2,1-2H3,(H,21,28)(H,23,24,25)/t12-,13-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362277
PNG
(CHEMBL1939601)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3c(C)cc(OC)cc3C)n(C)c(=O)c12 |(8.13,-31.11,;8.6,-32.58,;7.57,-33.72,;6.06,-33.4,;5.59,-31.93,;8.04,-35.19,;7.14,-36.43,;8.04,-37.68,;7.56,-39.14,;9.5,-37.2,;10.84,-37.98,;12.18,-37.2,;13.5,-37.97,;13.5,-39.51,;12.17,-40.28,;14.83,-40.27,;16.16,-39.51,;17.5,-40.27,;17.5,-41.81,;16.15,-37.96,;14.83,-37.2,;14.82,-35.66,;12.17,-35.65,;13.5,-34.88,;10.83,-34.89,;10.83,-33.35,;9.51,-35.66,)|
Show InChI InChI=1S/C22H29N3O2/c1-8-16(9-2)18-12-15(5)25-20(18)22(26)24(6)21(23-25)19-13(3)10-17(27-7)11-14(19)4/h10-12,16H,8-9H2,1-7H3
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n/an/a 2n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242577
PNG
(6-{[2-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl...)
Show SMILES NC(=O)c1ccc(NCCNCC(=O)N2C[C@@H](F)C[C@H]2C#N)nc1 |r|
Show InChI InChI=1S/C15H19FN6O2/c16-11-5-12(6-17)22(9-11)14(23)8-19-3-4-20-13-2-1-10(7-21-13)15(18)24/h1-2,7,11-12,19H,3-5,8-9H2,(H2,18,24)(H,20,21)/t11-,12-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362259
PNG
(CHEMBL1939570)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C)c(=O)c12
Show InChI InChI=1S/C21H27N3O2/c1-7-15(8-2)18-12-14(4)24-19(18)21(25)23(5)20(22-24)17-10-9-16(26-6)11-13(17)3/h9-12,15H,7-8H2,1-6H3
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n/an/a 2.60n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242517
PNG
((2S,4S)-1-(N-Cyclopentylglycyl)-4-fluoropyrrolidin...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCCC1 |r|
Show InChI InChI=1S/C12H18FN3O/c13-9-5-11(6-14)16(8-9)12(17)7-15-10-3-1-2-4-10/h9-11,15H,1-5,7-8H2/t9-,11-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242576
PNG
((2S,4S)-1-(N-{2-[(5-Chloropyridin-2-yl)amino]ethyl...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNCCNc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C14H17ClFN5O/c15-10-1-2-13(20-7-10)19-4-3-18-8-14(22)21-9-11(16)5-12(21)6-17/h1-2,7,11-12,18H,3-5,8-9H2,(H,19,20)/t11-,12-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242575
PNG
((2S,4S)-4-Fluoro-1-{N-[2-(pyridin-2-ylamino)ethyl]...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNCCNc1ccccn1 |r|
Show InChI InChI=1S/C14H18FN5O/c15-11-7-12(8-16)20(10-11)14(21)9-17-5-6-19-13-3-1-2-4-18-13/h1-4,11-12,17H,5-7,9-10H2,(H,18,19)/t11-,12-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242495
PNG
((2S,4S)-1-[N-(tert-Butyl)glycyl]-4-fluoropyrrolidi...)
Show SMILES CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C11H18FN3O/c1-11(2,3)14-6-10(16)15-7-8(12)4-9(15)5-13/h8-9,14H,4,6-7H2,1-3H3/t8-,9-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242593
PNG
(CHEMBL488036 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CNC(=O)c1ccc2OCCc2c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C20H25FN4O3/c1-20(2,24-10-18(26)25-11-15(21)8-16(25)9-22)12-23-19(27)14-3-4-17-13(7-14)5-6-28-17/h3-4,7,15-16,24H,5-6,8,10-12H2,1-2H3,(H,23,27)/t15-,16-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242531
PNG
((2S,4S)-4-Fluoro-1-[N-(3-hydroxy-1-adamantyl)-glyc...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r,TLB:9:8:2.3.4:6,11:8:2:4.5.6,THB:9:3:6:10.8.7,7:8:2:4.5.6,7:5:2:10.9.8|
Show InChI InChI=1S/C17H24FN3O2/c18-13-2-14(7-19)21(9-13)15(22)8-20-16-3-11-1-12(4-16)6-17(23,5-11)10-16/h11-14,20,23H,1-6,8-10H2/t11?,12?,13-,14-,16?,17?/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242530
PNG
((2S,4S)-1-(N-2-Adamantylglycyl)-4-fluoropyrrolidin...)
Show InChI InChI=1S/C17H24FN3O/c18-14-6-15(7-19)21(9-14)16(22)8-20-17-12-2-10-1-11(4-12)5-13(17)3-10/h10-15,17,20H,1-6,8-9H2/t10?,11?,12?,13?,14-,15-,17?/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242516
PNG
((2S,4S)-1-(N-Cyclobutylglycyl)-4-fluoropyrrolidine...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCC1 |r|
Show InChI InChI=1S/C11H16FN3O/c12-8-4-10(5-13)15(7-8)11(16)6-14-9-2-1-3-9/h8-10,14H,1-4,6-7H2/t8-,10-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242518
PNG
((2S,4S)-4-Fluoro-1-{N-[1-(hydroxymethyl)cyclopenty...)
Show SMILES OCC1(CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C13H20FN3O2/c14-10-5-11(6-15)17(8-10)12(19)7-16-13(9-18)3-1-2-4-13/h10-11,16,18H,1-5,7-9H2/t10-,11-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362291
PNG
(CHEMBL1939590)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(CC3CC3)c(=O)c12
Show InChI InChI=1S/C24H31N3O2/c1-6-18(7-2)21-13-16(4)27-22(21)24(28)26(14-17-8-9-17)23(25-27)20-11-10-19(29-5)12-15(20)3/h10-13,17-18H,6-9,14H2,1-5H3
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n/an/a 3.30n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242519
PNG
((2S,4S)-1-(N-Cyclooctylglycyl)-4-fluoropyrrolidine...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCCCCCC1 |r|
Show InChI InChI=1S/C15H24FN3O/c16-12-8-14(9-17)19(11-12)15(20)10-18-13-6-4-2-1-3-5-7-13/h12-14,18H,1-8,10-11H2/t12-,14-/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50198939
PNG
((R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C(C)C
Show InChI InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26-/m1/s1
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Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cells


Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50195700
PNG
(CHEMBL3975893)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccc(Cl)cc2C(O)=O)cc1
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ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated wi...


ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362260
PNG
(CHEMBL1939571)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(C)c(=O)c12
Show InChI InChI=1S/C20H24ClN3O2/c1-6-13(7-2)16-10-12(3)24-18(16)20(25)23(4)19(22-24)15-9-8-14(26-5)11-17(15)21/h8-11,13H,6-7H2,1-5H3
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Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362269
PNG
(CHEMBL1939593)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)nc3C)n(C)c(=O)c12
Show InChI InChI=1S/C20H26N4O2/c1-7-14(8-2)16-11-12(3)24-18(16)20(25)23(5)19(22-24)15-9-10-17(26-6)21-13(15)4/h9-11,14H,7-8H2,1-6H3
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Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242529
PNG
((2S,4S)-1-(N-1-Adamantylglycyl)-4-fluoropyrrolidin...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC12CC3CC(CC(C3)C1)C2 |r,TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Show InChI InChI=1S/C17H24FN3O/c18-14-4-15(8-19)21(10-14)16(22)9-20-17-5-11-1-12(6-17)3-13(2-11)7-17/h11-15,20H,1-7,9-10H2/t11?,12?,13?,14-,15-,17?/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362279
PNG
(CHEMBL1939603)
Show SMILES CCC(C)c1cc(C)n2nc(-c3c(C)cc(OC)cc3C)n(C)c(=O)c12 |(34,-31.12,;34.48,-32.59,;33.44,-33.73,;31.94,-33.41,;33.92,-35.2,;33.01,-36.44,;33.91,-37.69,;33.44,-39.16,;35.38,-37.22,;36.71,-37.99,;38.05,-37.22,;39.38,-37.98,;39.38,-39.52,;38.04,-40.29,;40.71,-40.29,;42.04,-39.52,;43.37,-40.29,;43.38,-41.83,;42.03,-37.98,;40.7,-37.22,;40.7,-35.68,;38.05,-35.66,;39.38,-34.89,;36.71,-34.9,;36.7,-33.36,;35.38,-35.68,)|
Show InChI InChI=1S/C21H27N3O2/c1-8-12(2)17-11-15(5)24-19(17)21(25)23(6)20(22-24)18-13(3)9-16(26-7)10-14(18)4/h9-12H,8H2,1-7H3
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Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362286
PNG
(CHEMBL1939585)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(CCO)c(=O)c12
Show InChI InChI=1S/C21H26ClN3O3/c1-5-14(6-2)17-11-13(3)25-19(17)21(27)24(9-10-26)20(23-25)16-8-7-15(28-4)12-18(16)22/h7-8,11-12,14,26H,5-6,9-10H2,1-4H3
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Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242579
PNG
(CHEMBL488418 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CNC(=O)c1ccccc1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C18H23FN4O2/c1-18(2,12-21-17(25)13-6-4-3-5-7-13)22-10-16(24)23-11-14(19)8-15(23)9-20/h3-7,14-15,22H,8,10-12H2,1-2H3,(H,21,25)/t14-,15-/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362270
PNG
(CHEMBL1939594)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC(F)F)nc3C)n(C)c(=O)c12
Show InChI InChI=1S/C20H24F2N4O2/c1-6-13(7-2)15-10-11(3)26-17(15)19(27)25(5)18(24-26)14-8-9-16(23-12(14)4)28-20(21)22/h8-10,13,20H,6-7H2,1-5H3
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Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242513
PNG
((2S,4S)-4-Fluoro-1-[N-(2-hydroxy-1,1-dimethylethyl...)
Show SMILES CC(C)(CO)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C11H18FN3O2/c1-11(2,7-16)14-5-10(17)15-6-8(12)3-9(15)4-13/h8-9,14,16H,3,5-7H2,1-2H3/t8-,9-/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362284
PNG
(CHEMBL1939583)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(CC)c(=O)c12
Show InChI InChI=1S/C21H26ClN3O2/c1-6-14(7-2)17-11-13(4)25-19(17)21(26)24(8-3)20(23-25)16-10-9-15(27-5)12-18(16)22/h9-12,14H,6-8H2,1-5H3
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Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362273
PNG
(CHEMBL1939597)
Show SMILES CCC(C)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(C)c(=O)c12
Show InChI InChI=1S/C19H22ClN3O2/c1-6-11(2)15-9-12(3)23-17(15)19(24)22(4)18(21-23)14-8-7-13(25-5)10-16(14)20/h7-11H,6H2,1-5H3
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Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362271
PNG
(CHEMBL1939595)
Show SMILES CCC(C)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C)c(=O)c12
Show InChI InChI=1S/C20H25N3O2/c1-7-12(2)17-11-14(4)23-18(17)20(24)22(5)19(21-23)16-9-8-15(25-6)10-13(16)3/h8-12H,7H2,1-6H3
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Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242533
PNG
((2S,4S)-4-Fluoro-1-[N-(5-hydroxy-2-adamantyl)-glyc...)
Show InChI InChI=1S/C17H24FN3O2/c18-13-3-14(7-19)21(9-13)15(22)8-20-16-11-1-10-2-12(16)6-17(23,4-10)5-11/h10-14,16,20,23H,1-6,8-9H2/t10?,11?,12?,13-,14-,16?,17?/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362280
PNG
(CHEMBL1939592)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3cnc(OC(F)F)cc3C)n(C)c(=O)c12
Show InChI InChI=1S/C20H24F2N4O2/c1-6-13(7-2)14-9-12(4)26-17(14)19(27)25(5)18(24-26)15-10-23-16(8-11(15)3)28-20(21)22/h8-10,13,20H,6-7H2,1-5H3
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Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242580
PNG
(CHEMBL488419 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CNC(=O)c1cccs1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C16H21FN4O2S/c1-16(2,10-19-15(23)13-4-3-5-24-13)20-8-14(22)21-9-11(17)6-12(21)7-18/h3-5,11-12,20H,6,8-10H2,1-2H3,(H,19,23)/t11-,12-/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50336345
PNG
(4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1
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Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in HOS cells assessed as inhibition of cell fusion with HIV gp120 expressing HEK293 cells by LTR lucifera...


Bioorg Med Chem Lett 21: 1141-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.109
BindingDB Entry DOI: 10.7270/Q24T6JP0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362288
PNG
(CHEMBL1939587)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C3CC3)c(=O)c12
Show InChI InChI=1S/C23H29N3O2/c1-6-16(7-2)20-13-15(4)26-21(20)23(27)25(17-8-9-17)22(24-26)19-11-10-18(28-5)12-14(19)3/h10-13,16-17H,6-9H2,1-5H3
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n/an/a 5.70n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242594
PNG
(CHEMBL519585 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CNC(=O)c1ccc2nc[nH]c2c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C19H23FN6O2/c1-19(2,25-8-17(27)26-9-13(20)6-14(26)7-21)10-22-18(28)12-3-4-15-16(5-12)24-11-23-15/h3-5,11,13-14,25H,6,8-10H2,1-2H3,(H,22,28)(H,23,24)/t13-,14-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242596
PNG
(CHEMBL487861 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(C)C(=O)NCC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C16H27FN4O2/c1-15(2,3)14(23)19-10-16(4,5)20-8-13(22)21-9-11(17)6-12(21)7-18/h11-12,20H,6,8-10H2,1-5H3,(H,19,23)/t11-,12-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50336345
PNG
(4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of MIP-1alpha from human CCR5 expressed in CHO cells


Bioorg Med Chem 19: 4028-42 (2011)


Article DOI: 10.1016/j.bmc.2011.05.022
BindingDB Entry DOI: 10.7270/Q2H70G5Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50336345
PNG
(4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced chemotaxis


Bioorg Med Chem 19: 4028-42 (2011)


Article DOI: 10.1016/j.bmc.2011.05.022
BindingDB Entry DOI: 10.7270/Q2H70G5Q
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50195694
PNG
(CHEMBL3976876)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2cc(Cl)ccc2C(O)=O)cc1
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n/an/a 5.90n/an/an/an/an/an/a



ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated wi...


ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362289
PNG
(CHEMBL1939588)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(C3CC3)c(=O)c12
Show InChI InChI=1S/C22H26ClN3O2/c1-5-14(6-2)18-11-13(3)26-20(18)22(27)25(15-7-8-15)21(24-26)17-10-9-16(28-4)12-19(17)23/h9-12,14-15H,5-8H2,1-4H3
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n/an/a 5.90n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50190516
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37)
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n/an/a 6.10n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cells


Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242476
PNG
(CHEMBL471088 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CN(Cc1ccc(cc1)C#N)C(=O)c1ccccc1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C26H28FN5O2/c1-26(2,30-15-24(33)32-17-22(27)12-23(32)14-29)18-31(25(34)21-6-4-3-5-7-21)16-20-10-8-19(13-28)9-11-20/h3-11,22-23,30H,12,15-18H2,1-2H3/t22-,23-/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11113
PNG
(6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242475
PNG
(CHEMBL470893 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)CN(CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H31FN4O2/c1-16(2)13-26(21(29)17-8-6-5-7-9-17)15-22(3,4)25-12-20(28)27-14-18(23)10-19(27)11-24/h5-9,16,18-19,25H,10,12-15H2,1-4H3/t18-,19-/m0/s1
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n/an/a 7.30n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362266
PNG
(CHEMBL1939577)
Show SMILES CCC(CC)c1cc(C)n2nc(c(C)cc12)-c1cnc(cc1C)N(C)C
Show InChI InChI=1S/C22H30N4/c1-8-17(9-2)18-12-16(5)26-20(18)10-15(4)22(24-26)19-13-23-21(25(6)7)11-14(19)3/h10-13,17H,8-9H2,1-7H3
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n/an/a 7.40n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50198936
PNG
((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C1CCCCC1
Show InChI InChI=1S/C32H43N3O4/c1-2-3-20-35-30(37)28(29(36)25-10-6-4-7-11-25)33-31(38)32(35)18-21-34(22-19-32)23-24-14-16-27(17-15-24)39-26-12-8-5-9-13-26/h5,8-9,12-17,25,28-29,36H,2-4,6-7,10-11,18-23H2,1H3,(H,33,38)/t28-,29-/m1/s1
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n/an/a 7.76n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in HOS cells assessed as inhibition of cell fusion with HIV gp120 expressing HEK293 cells by LTR lucifera...


Bioorg Med Chem Lett 21: 1141-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.109
BindingDB Entry DOI: 10.7270/Q24T6JP0
More data for this
Ligand-Target Pair
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