Found 207 hits with Last Name = 'kishore' and Initial = 'k' 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 |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251493
((2S,4S)-1-(2-(1-(4-cyano-3,5-difluorophenyl)piperi...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCN(CC1)c1cc(F)c(C#N)c(F)c1 |r| Show InChI InChI=1S/C19H20F3N5O/c20-12-5-15(8-23)27(11-12)19(28)10-25-13-1-3-26(4-2-13)14-6-17(21)16(9-24)18(22)7-14/h6-7,12-13,15,25H,1-5,10-11H2/t12-,15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251494
((2S,4S)-1-(2-(1-(4-cyano-2-(trifluoromethyl)phenyl...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCN(CC1)c1ccc(cc1C(F)(F)F)C#N |r| Show InChI InChI=1S/C20H21F4N5O/c21-14-8-16(10-26)29(12-14)19(30)11-27-15-3-5-28(6-4-15)18-2-1-13(9-25)7-17(18)20(22,23)24/h1-2,7,14-16,27H,3-6,8,11-12H2/t14-,16-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251495
((2S,4S)-4-fluoro-1-(2-(1-(5-(trifluoromethyl)pyrid...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCN(CC1)c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C18H21F4N5O/c19-13-7-15(8-23)27(11-13)17(28)10-24-14-3-5-26(6-4-14)16-2-1-12(9-25-16)18(20,21)22/h1-2,9,13-15,24H,3-7,10-11H2/t13-,15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251517
(6-(4-(2-((2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl)-...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCN(CC1)c1ccc(cn1)C#N |r| Show InChI InChI=1S/C18H21FN6O/c19-14-7-16(9-21)25(12-14)18(26)11-22-15-3-5-24(6-4-15)17-2-1-13(8-20)10-23-17/h1-2,10,14-16,22H,3-7,11-12H2/t14-,16-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251518
((2S,4S)-1-(2-(1-(4-cyanophenyl)piperidin-4-ylamino...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCN(CC1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C19H22FN5O/c20-15-9-18(11-22)25(13-15)19(26)12-23-16-5-7-24(8-6-16)17-3-1-14(10-21)2-4-17/h1-4,15-16,18,23H,5-9,12-13H2/t15-,18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447299
(CHEMBL3114208)Show SMILES CCNC(=O)Nc1nc2cc(-c3cc(C)n(CCOC)c(=O)c3)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C21H27N5O4S/c1-6-22-20(29)24-21-23-16-11-15(18(28)26(12(2)3)19(16)31-21)14-9-13(4)25(7-8-30-5)17(27)10-14/h9-12H,6-8H2,1-5H3,(H2,22,23,24,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447303
(CHEMBL3114202)Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(c3)C#N)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C18H18N6O2S/c1-4-21-17(26)23-18-22-14-6-13(12-5-11(7-19)8-20-9-12)15(25)24(10(2)3)16(14)27-18/h5-6,8-10H,4H2,1-3H3,(H2,21,22,23,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447301
(CHEMBL3114206)Show SMILES CCNC(=O)Nc1nc2cc(-c3cc(C)n(CC)c(=O)c3)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C20H25N5O3S/c1-6-21-19(28)23-20-22-15-10-14(17(27)25(11(3)4)18(15)29-20)13-8-12(5)24(7-2)16(26)9-13/h8-11H,6-7H2,1-5H3,(H2,21,22,23,28) | PDB MMDB
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447300
(CHEMBL3114207)Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn(CCOC)c(=O)c3)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C20H25N5O4S/c1-5-21-19(28)23-20-22-15-11-14(17(27)25(12(2)3)18(15)30-20)13-6-7-24(8-9-29-4)16(26)10-13/h6-7,10-12H,5,8-9H2,1-4H3,(H2,21,22,23,28) | PDB MMDB
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447305
(CHEMBL3114200)Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(OC)c3)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C18H21N5O3S/c1-5-20-17(25)22-18-21-14-7-13(11-6-12(26-4)9-19-8-11)15(24)23(10(2)3)16(14)27-18/h6-10H,5H2,1-4H3,(H2,20,21,22,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447297
(CHEMBL3114210)Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn4ncnc4c3)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C18H19N7O2S/c1-4-19-17(27)23-18-22-13-8-12(15(26)25(10(2)3)16(13)28-18)11-5-6-24-14(7-11)20-9-21-24/h5-10H,4H2,1-3H3,(H2,19,22,23,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447307
(CHEMBL3114198)Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(F)c3)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C17H18FN5O2S/c1-4-20-16(25)22-17-21-13-6-12(10-5-11(18)8-19-7-10)14(24)23(9(2)3)15(13)26-17/h5-9H,4H2,1-3H3,(H2,20,21,22,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447296
(CHEMBL3114191)Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc4ncnn4c3)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C18H19N7O2S/c1-4-19-17(27)23-18-22-13-7-12(15(26)25(10(2)3)16(13)28-18)11-5-6-14-20-9-21-24(14)8-11/h5-10H,4H2,1-3H3,(H2,19,22,23,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447311
(CHEMBL3114223)Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC3CCOCC3)c2s1 Show InChI InChI=1S/C20H23N5O3S/c1-2-22-19(27)24-20-23-16-10-15(14-4-3-7-21-11-14)17(26)25(18(16)29-20)12-13-5-8-28-9-6-13/h3-4,7,10-11,13H,2,5-6,8-9,12H2,1H3,(H2,22,23,24,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447304
(CHEMBL3114201)Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc(nc3)C#N)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C18H18N6O2S/c1-4-20-17(26)23-18-22-14-7-13(11-5-6-12(8-19)21-9-11)15(25)24(10(2)3)16(14)27-18/h5-7,9-10H,4H2,1-3H3,(H2,20,22,23,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447294
(CHEMBL3114193)Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc4cnnn4c3)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C18H19N7O2S/c1-4-19-17(27)22-18-21-14-7-13(15(26)25(10(2)3)16(14)28-18)11-5-6-12-8-20-23-24(12)9-11/h5-10H,4H2,1-3H3,(H2,19,21,22,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447295
(CHEMBL3114192)Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc4nnnn4c3)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C17H18N8O2S/c1-4-18-16(27)20-17-19-12-7-11(14(26)25(9(2)3)15(12)28-17)10-5-6-13-21-22-23-24(13)8-10/h5-9H,4H2,1-3H3,(H2,18,19,20,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447302
(CHEMBL3114204)Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc(nc3)-c3nnnn3C)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C19H21N9O2S/c1-5-20-18(30)23-19-22-14-8-12(16(29)28(10(2)3)17(14)31-19)11-6-7-13(21-9-11)15-24-25-26-27(15)4/h6-10H,5H2,1-4H3,(H2,20,22,23,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447312
(CHEMBL3114222)Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC3CCCCC3)c2s1 Show InChI InChI=1S/C21H25N5O2S/c1-2-23-20(28)25-21-24-17-11-16(15-9-6-10-22-12-15)18(27)26(19(17)29-21)13-14-7-4-3-5-8-14/h6,9-12,14H,2-5,7-8,13H2,1H3,(H2,23,24,25,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447322
(CHEMBL3114212)Show InChI InChI=1S/C14H14N6O2S/c1-3-17-13(21)20-14-18-10-4-9(8-5-15-7-16-6-8)11(22-2)19-12(10)23-14/h4-7H,3H2,1-2H3,(H2,17,18,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447306
(CHEMBL3114199)Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc(OC)nc3)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C18H21N5O3S/c1-5-19-17(25)22-18-21-13-8-12(11-6-7-14(26-4)20-9-11)15(24)23(10(2)3)16(13)27-18/h6-10H,5H2,1-4H3,(H2,19,21,22,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447308
(CHEMBL3114197)Show SMILES CCNC(=O)Nc1nc2cc(-c3cncnc3)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C16H18N6O2S/c1-4-19-15(24)21-16-20-12-5-11(10-6-17-8-18-7-10)13(23)22(9(2)3)14(12)25-16/h5-9H,4H2,1-3H3,(H2,19,20,21,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447315
(CHEMBL3114219)Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC(C)C)c2s1 Show InChI InChI=1S/C18H21N5O2S/c1-4-20-17(25)22-18-21-14-8-13(12-6-5-7-19-9-12)15(24)23(10-11(2)3)16(14)26-18/h5-9,11H,4,10H2,1-3H3,(H2,20,21,22,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251413
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(pyridin-2-yl)...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccccn1 |r| Show InChI InChI=1S/C17H20FN5O/c18-11-5-12(6-19)23(8-11)16(24)7-21-17-13-9-22(10-14(13)17)15-3-1-2-4-20-15/h1-4,11-14,17,21H,5,7-10H2/t11-,12-,13-,14+,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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447319
(CHEMBL3114215)Show InChI InChI=1S/C16H17N5O2S/c1-3-18-15(23)20-16-19-12-8-11(10-6-5-7-17-9-10)13(22)21(4-2)14(12)24-16/h5-9H,3-4H2,1-2H3,(H2,18,19,20,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251758
((2S,4S)-1-(2-((1S,5R,6s)-3-(3-chloro-2-cyanophenyl...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(Cl)c1C#N |r| Show InChI InChI=1S/C19H19ClFN5O/c20-16-2-1-3-17(13(16)6-23)25-9-14-15(10-25)19(14)24-7-18(27)26-8-11(21)4-12(26)5-22/h1-3,11-12,14-15,19,24H,4,7-10H2/t11-,12-,14-,15+,19+/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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251681
((2S,4S)-1-(2-((1S,5R,6s)-3-(4-cyano-3,5-difluoroph...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)c(C#N)c(F)c1 |r| Show InChI InChI=1S/C19H18F3N5O/c20-10-1-12(4-23)27(7-10)18(28)6-25-19-14-8-26(9-15(14)19)11-2-16(21)13(5-24)17(22)3-11/h2-3,10,12,14-15,19,25H,1,6-9H2/t10-,12-,14-,15+,19+/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 | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447318
(CHEMBL3114216)Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C17H19N5O2S/c1-4-19-16(24)21-17-20-13-8-12(11-6-5-7-18-9-11)14(23)22(10(2)3)15(13)25-17/h5-10H,4H2,1-3H3,(H2,19,20,21,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447317
(CHEMBL3114217)Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC3CC3)c2s1 Show InChI InChI=1S/C18H19N5O2S/c1-2-20-17(25)22-18-21-14-8-13(12-4-3-7-19-9-12)15(24)23(16(14)26-18)10-11-5-6-11/h3-4,7-9,11H,2,5-6,10H2,1H3,(H2,20,21,22,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447313
(CHEMBL3114221)Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CCC(C)C)c2s1 Show InChI InChI=1S/C19H23N5O2S/c1-4-21-18(26)23-19-22-15-10-14(13-6-5-8-20-11-13)16(25)24(17(15)27-19)9-7-12(2)3/h5-6,8,10-12H,4,7,9H2,1-3H3,(H2,21,22,23,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447316
(CHEMBL3114218)Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC(F)F)c2s1 Show InChI InChI=1S/C16H15F2N5O2S/c1-2-20-15(25)22-16-21-11-6-10(9-4-3-5-19-7-9)13(24)23(8-12(17)18)14(11)26-16/h3-7,12H,2,8H2,1H3,(H2,20,21,22,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251786
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-3-(trifluorome...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(c1C#N)C(F)(F)F |r| Show InChI InChI=1S/C20H19F4N5O/c21-11-4-12(5-25)29(8-11)18(30)7-27-19-14-9-28(10-15(14)19)17-3-1-2-16(13(17)6-26)20(22,23)24/h1-3,11-12,14-15,19,27H,4,7-10H2/t11-,12-,14-,15+,19+/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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Prolyl endopeptidase
(Homo sapiens (Human)) | BDBM50251852
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(pyrimidin-2-y...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ncccn1 |r| Show InChI InChI=1S/C16H19FN6O/c17-10-4-11(5-18)23(7-10)14(24)6-21-15-12-8-22(9-13(12)15)16-19-2-1-3-20-16/h1-3,10-13,15,21H,4,6-9H2/t10-,11-,12-,13+,15+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PPCE (unknown origin) |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251414
((2S,4S)-1-(2-((1S,5R,6s)-3-(5-chloropyridin-2-yl)-...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C17H19ClFN5O/c18-10-1-2-15(21-5-10)23-8-13-14(9-23)17(13)22-6-16(25)24-7-11(19)3-12(24)4-20/h1-2,5,11-14,17,22H,3,6-9H2/t11-,12-,13-,14+,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 | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447314
(CHEMBL3114220)Show SMILES CC(C)CCn1c2sc(NC(=O)NCC=C)nc2cc(-c2cccnc2)c1=O Show InChI InChI=1S/C20H23N5O2S/c1-4-8-22-19(27)24-20-23-16-11-15(14-6-5-9-21-12-14)17(26)25(18(16)28-20)10-7-13(2)3/h4-6,9,11-13H,1,7-8,10H2,2-3H3,(H2,22,23,24,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251757
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyanophenyl)-3-aza-b...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccccc1C#N |r| Show InChI InChI=1S/C19H20FN5O/c20-13-5-14(7-22)25(9-13)18(26)8-23-19-15-10-24(11-16(15)19)17-4-2-1-3-12(17)6-21/h1-4,13-16,19,23H,5,8-11H2/t13-,14-,15-,16+,19+/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 | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251684
((2S,4S)-1-(2-((1S,5R,6s)-3-(4-cyano-2-(trifluorome...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1C(F)(F)F)C#N |r| Show InChI InChI=1S/C20H19F4N5O/c21-12-4-13(6-26)29(8-12)18(30)7-27-19-14-9-28(10-15(14)19)17-2-1-11(5-25)3-16(17)20(22,23)24/h1-3,12-15,19,27H,4,7-10H2/t12-,13-,14-,15+,19+/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 | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251787
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-6-fluorophenyl...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1c(F)cccc1C#N |r| Show InChI InChI=1S/C19H19F2N5O/c20-12-4-13(6-23)26(8-12)17(27)7-24-18-14-9-25(10-15(14)18)19-11(5-22)2-1-3-16(19)21/h1-3,12-15,18,24H,4,7-10H2/t12-,13-,14-,15+,18+/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 | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50251682
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-chloro-4-cyanophenyl...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C19H19ClFN5O/c20-16-3-11(5-22)1-2-17(16)25-9-14-15(10-25)19(14)24-7-18(27)26-8-12(21)4-13(26)6-23/h1-3,12-15,19,24H,4,7-10H2/t12-,13-,14-,15+,19+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of DPP9 (unknown origin) |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251467
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(3-nitropyridi...)Show SMILES [O-][N+](=O)c1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C17H19FN6O3/c18-10-4-11(5-19)23(7-10)15(25)6-21-16-12-8-22(9-13(12)16)17-14(24(26)27)2-1-3-20-17/h1-3,10-13,16,21H,4,6-9H2/t10-,11-,12-,13+,16+/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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251852
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(pyrimidin-2-y...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ncccn1 |r| Show InChI InChI=1S/C16H19FN6O/c17-10-4-11(5-18)23(7-10)14(24)6-21-15-12-8-22(9-13(12)15)16-19-2-1-3-20-16/h1-3,10-13,15,21H,4,6-9H2/t10-,11-,12-,13+,15+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447321
(CHEMBL3114213)Show InChI InChI=1S/C13H12N6O2S/c1-2-16-12(21)19-13-17-9-3-8(7-4-14-6-15-5-7)10(20)18-11(9)22-13/h3-6H,2H2,1H3,(H,18,20)(H2,16,17,19,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251427
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(5-nitropyridi...)Show SMILES [O-][N+](=O)c1ccc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C17H19FN6O3/c18-10-3-12(4-19)23(7-10)16(25)6-21-17-13-8-22(9-14(13)17)15-2-1-11(5-20-15)24(26)27/h1-2,5,10,12-14,17,21H,3,6-9H2/t10-,12-,13-,14+,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 | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251468
(2-((1S,5R,6s)-6-(2-((2S,4S)-2-cyano-4-fluoropyrrol...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ncccc1C#N |r| Show InChI InChI=1S/C18H19FN6O/c19-12-4-13(6-21)25(8-12)16(26)7-23-17-14-9-24(10-15(14)17)18-11(5-20)2-1-3-22-18/h1-3,12-15,17,23H,4,7-10H2/t12-,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 | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251788
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-3-fluorophenyl...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(F)c1C#N |r| Show InChI InChI=1S/C19H19F2N5O/c20-11-4-12(5-22)26(8-11)18(27)7-24-19-14-9-25(10-15(14)19)17-3-1-2-16(21)13(17)6-23/h1-3,11-12,14-15,19,24H,4,7-10H2/t11-,12-,14-,15+,19+/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 | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251491
(6-((1S,5R,6s)-6-(2-((S)-2-cyano-4,4-difluoropyrrol...)Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cn1)C#N |r| Show InChI InChI=1S/C18H18F2N6O/c19-18(20)3-12(5-22)26(10-18)16(27)7-24-17-13-8-25(9-14(13)17)15-2-1-11(4-21)6-23-15/h1-2,6,12-14,17,24H,3,7-10H2/t12-,13-,14+,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 | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251682
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-chloro-4-cyanophenyl...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C19H19ClFN5O/c20-16-3-11(5-22)1-2-17(16)25-9-14-15(10-25)19(14)24-7-18(27)26-8-12(21)4-13(26)6-23/h1-3,12-15,19,24H,4,7-10H2/t12-,13-,14-,15+,19+/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 | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50251721
(4-((1S,5R,6s)-6-(2-((2S,4S)-2-cyano-4-fluoropyrrol...)Show SMILES NC(=O)c1ccc(cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C19H22FN5O2/c20-12-5-14(6-21)25(8-12)17(26)7-23-18-15-9-24(10-16(15)18)13-3-1-11(2-4-13)19(22)27/h1-4,12,14-16,18,23H,5,7-10H2,(H2,22,27)/t12-,14-,15-,16+,18+/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 | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 2
(Homo sapiens (Human)) | BDBM50251758
((2S,4S)-1-(2-((1S,5R,6s)-3-(3-chloro-2-cyanophenyl...)Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(Cl)c1C#N |r| Show InChI InChI=1S/C19H19ClFN5O/c20-16-2-1-3-17(13(16)6-23)25-9-14-15(10-25)19(14)24-7-18(27)26-8-11(21)4-12(26)5-22/h1-3,11-12,14-15,19,24H,4,7-10H2/t11-,12-,14-,15+,19+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of DPP2 (unknown origin) |
Bioorg Med Chem Lett 18: 4087-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50447309
(CHEMBL3114196)Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(C(C)C(N)=O)c2s1 Show InChI InChI=1S/C17H18N6O3S/c1-3-20-16(26)22-17-21-12-7-11(10-5-4-6-19-8-10)14(25)23(15(12)27-17)9(2)13(18)24/h4-9H,3H2,1-2H3,(H2,18,24)(H2,20,21,22,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins |
Bioorg Med Chem Lett 24: 870-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V |
More data for this Ligand-Target Pair | |