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Compile Data Set for Download or QSAR

Found 740 hits with Last Name = 'akao' 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


(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
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase)


(Homo sapiens (Human))
BDBM50386618
PNG
(CHEMBL2048443)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)CP(O)(=O)OP(O)(=O)OCc1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C17H23N2O13P3/c20-13-8-16(19-7-6-15(21)18-17(19)22)31-14(13)10-29-33(23,24)11-34(25,26)32-35(27,28)30-9-12-4-2-1-3-5-12/h1-7,13-14,16,20H,8-11H2,(H,23,24)(H,25,26)(H,27,28)(H,18,21,22)/t13-,14+,16+/m0/s1
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300n/an/an/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase


J Med Chem 55: 2960-9 (2012)


Article DOI: 10.1021/jm201627n
BindingDB Entry DOI: 10.7270/Q2WQ04VS
More data for this
Ligand-Target Pair
Carbonic anhydrase


(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


(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
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase)


(Homo sapiens (Human))
BDBM50173539
PNG
(1-(4-Hydroxy-5-trityloxymethyl-tetrahydro-furan-2-...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C28H26N2O5/c31-23-18-26(30-17-16-25(32)29-27(30)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,31H,18-19H2,(H,29,32,33)
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1.80E+4n/an/an/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis


J Med Chem 55: 2970-80 (2012)


Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 0.200n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP14 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by fluorescence ass...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 0.330n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP12


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 0.390n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP8


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 0.470n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP13


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50393111
PNG
(CHEMBL2153261)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cccs1
Show InChI InChI=1S/C10H8N4S/c11-10-13-6-3-4-12-9(8(6)14-10)7-2-1-5-15-7/h1-5H,(H3,11,13,14)
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n/an/a 0.570n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP14 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by fluorescence ass...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 0.790n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
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 (DPP4)


(Homo sapiens (human))
BDBM50377933
PNG
(CHEMBL1744354)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNCCNc1ccc(cn1)C#N
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
Collagenase


(homo sapiens (human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 1.20n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
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
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50215927
PNG
(4-(1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amin...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccc[nH]1
Show InChI InChI=1S/C10H9N5/c11-10-14-7-3-5-13-8(9(7)15-10)6-2-1-4-12-6/h1-5,12H,(H3,11,14,15)
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n/an/a 1.60n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP14 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by fluorescence ass...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 1.70n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
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
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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 2n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
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 (DPP4)


(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
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 (DPP4)


(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
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 (DPP4)


(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
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
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50393115
PNG
(CHEMBL575945)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C14H11N5/c15-14-18-11-5-6-16-12(13(11)19-14)9-7-17-10-4-2-1-3-8(9)10/h1-7,17H,(H3,15,18,19)
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n/an/a 2.80n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP14 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by fluorescence ass...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
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
Prothrombin


(Homo sapiens (Human))
BDBM50269601
PNG
(CHEMBL507449 | cyclotheonamide E)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC1=O)NC(=O)[C@H](C)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C43H58N10O9/c1-4-25(2)36-40(60)49-29(22-28-14-17-30(54)18-15-28)16-19-34(55)47-24-32(51-38(58)26(3)48-35(56)23-27-10-6-5-7-11-27)42(62)53-21-9-13-33(53)39(59)50-31(37(57)41(61)52-36)12-8-20-46-43(44)45/h5-7,10-11,14-19,25-26,29,31-33,36,54H,4,8-9,12-13,20-24H2,1-3H3,(H,47,55)(H,48,56)(H,49,60)(H,50,59)(H,51,58)(H,52,61)(H4,44,45,46)/b19-16+/t25-,26+,29-,31+,32+,33+,36+/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Nat Prod 61: 667-70 (1998)


Article DOI: 10.1021/np970544n
BindingDB Entry DOI: 10.7270/Q2GB24XX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
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
Collagenase


(homo sapiens (human))
BDBM50393111
PNG
(CHEMBL2153261)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cccs1
Show InChI InChI=1S/C10H8N4S/c11-10-13-6-3-4-12-9(8(6)14-10)7-2-1-5-15-7/h1-5H,(H3,11,13,14)
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n/an/a 3n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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 (DPP4)


(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
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 (DPP4)


(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
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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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
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50393110
PNG
(CHEMBL2153260)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccco1
Show InChI InChI=1S/C10H8N4O/c11-10-13-6-3-4-12-9(8(6)14-10)7-2-1-5-15-7/h1-5H,(H3,11,13,14)
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n/an/a 3.20n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP14 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by fluorescence ass...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
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
Dipeptidyl peptidase 4 (DPP4)


(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
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
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
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 (LPAR1)


(Homo sapiens (Human))
BDBM50195700
PNG
(CHEMBL3975893)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccc(Cl)cc2C(O)=O)cc1
Show InChI InChI=1S/C33H32ClNO6/c1-22-30(39-2)18-25(19-31(22)40-3)32(36)35(17-7-10-23-8-5-4-6-9-23)21-24-11-14-27(15-12-24)41-29-16-13-26(34)20-28(29)33(37)38/h4-6,8-9,11-16,18-20H,7,10,17,21H2,1-3H3,(H,37,38)
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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))
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
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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n/an/a 3.80n/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 (DPP4)


(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
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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n/an/a 4.10n/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
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
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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n/an/a 4.20n/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
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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n/an/a 4.40n/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
Dipeptidyl peptidase 4 (DPP4)


(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
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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n/an/a 4.5n/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))
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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n/an/a 4.5n/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 (DPP4)


(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
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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n/an/a 4.60n/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
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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n/an/a 4.60n/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
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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n/an/a 4.90n/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
Cathepsin (B and K)


(Homo sapiens)
BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCN=C(N)N
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Laboratory of Aquatic Natural Products Chemistry, Graduate School of Agricultural and Life Sciences, The University of Tokyo, Japan.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B was determined


Bioorg Med Chem Lett 9: 3397-402 (1999)


Article DOI: 10.1016/s0960-894x(99)00618-6
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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n/an/a 5n/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
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