Found 675 hits with Last Name = 'takao' and Initial = 'y' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10882
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50386618
(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 |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM12414
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(4-carboxybenzenesulfonamide 1 | 4-sulfamoylbenzoic...)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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Homo sapiens (Human)) | BDBM50173539
(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 |r| 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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Lysophosphatidic acid receptor 1
(Homo sapiens (Human)) | BDBM50285779
(CHEMBL4165205)Show SMILES COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1 |r| Show InChI InChI=1S/C29H35NO5/c1-19-26(34-2)15-24(16-27(19)35-3)29(33)25(14-21-12-22-6-4-5-7-23(22)13-21)18-30-11-10-20(17-30)8-9-28(31)32/h4-7,10-11,15-17,21,25,29,33H,8-9,12-14,18H2,1-3H3,(H,31,32)/t25-,29+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
ONO Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human LPA1 expressed in CHO cell membranes pretreated for 24 hrs prior to Fura-2-AM dye addition for 1 hr followed... |
ACS Med Chem Lett 8: 1281-1286 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00383
BindingDB Entry DOI: 10.7270/Q2PG1V8Z |
More data for this
Ligand-Target Pair | |
Lysophosphatidic acid receptor 1
(Homo sapiens (Human)) | BDBM50285779
(CHEMBL4165205)Show SMILES COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1 |r| Show InChI InChI=1S/C29H35NO5/c1-19-26(34-2)15-24(16-27(19)35-3)29(33)25(14-21-12-22-6-4-5-7-23(22)13-21)18-30-11-10-20(17-30)8-9-28(31)32/h4-7,10-11,15-17,21,25,29,33H,8-9,12-14,18H2,1-3H3,(H,31,32)/t25-,29+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
ONO Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human LPA1 expressed in CHO cell membranes pretreated for 24 hrs prior to Fura-2-AM dye addition for 1 hr followed... |
ACS Med Chem Lett 8: 1281-1286 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00383
BindingDB Entry DOI: 10.7270/Q2PG1V8Z |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50198936
((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 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50377933
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50242595
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50242517
((2S,4S)-1-(N-Cyclopentylglycyl)-4-fluoropyrrolidin...)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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50242576
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/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
((2S,4S)-1-[N-(tert-Butyl)glycyl]-4-fluoropyrrolidi...)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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/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
((2S,4S)-1-(N-Cyclobutylglycyl)-4-fluoropyrrolidine...)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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/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
((2S,4S)-1-(N-2-Adamantylglycyl)-4-fluoropyrrolidin...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1C2CC3CC(C2)CC1C3 |r,TLB:18:17:21:14.13.12,18:13:16.17.19:21,THB:12:13:16:19.20.21,12:20:16:14.18.13,11:12:16.17.19:21| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50242519
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Lysophosphatidic acid receptor 1
(Homo sapiens (Human)) | BDBM50195700
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50362269
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50362260
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50242529
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50362270
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50242579
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50242513
((2S,4S)-4-Fluoro-1-[N-(2-hydroxy-1,1-dimethylethyl...)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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50362271
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50362280
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50242533
((2S,4S)-4-Fluoro-1-[N-(5-hydroxy-2-adamantyl)-glyc...)Show SMILES OC12CC3CC(C1)C(NCC(=O)N1C[C@@H](F)C[C@H]1C#N)C(C3)C2 |r,TLB:4:3:22:6.5.7,4:5:2.3.21:22,THB:7:5:2:21.20.22,7:20:2:6.4.5,8:7:2.3.21:22| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50242580
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.62 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50362288
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50242596
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50362289
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Lysophosphatidic acid receptor 1
(Homo sapiens (Human)) | BDBM50195694
(CHEMBL3976876)Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2cc(Cl)ccc2C(O)=O)cc1 Show InChI InChI=1S/C33H32ClNO6/c1-22-29(39-2)18-25(19-30(22)40-3)32(36)35(17-7-10-23-8-5-4-6-9-23)21-24-11-14-27(15-12-24)41-31-20-26(34)13-16-28(31)33(37)38/h4-6,8-9,11-16,18-20H,7,10,17,21H2,1-3H3,(H,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/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 | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50190516
((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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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