Found 227 hits with Last Name = 'shinde' and Initial = 'v' 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 |
|---|
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50425950
(CHEMBL2311561 | Isoniazid-NAD)Show SMILES NC(=O)C1=CN(C=C[C@H]1C(=O)c1ccncc1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,c:6,t:3| Show InChI InChI=1S/C27H32N8O15P2/c28-23-17-25(32-10-31-23)35(11-33-17)27-22(40)20(38)16(49-27)9-47-52(44,45)50-51(42,43)46-8-15-19(37)21(39)26(48-15)34-6-3-13(14(7-34)24(29)41)18(36)12-1-4-30-5-2-12/h1-7,10-11,13,15-16,19-22,26-27,37-40H,8-9H2,(H2,29,41)(H,42,43)(H,44,45)(H2,28,31,32)/t13-,15-,16-,19-,20-,21-,22-,26-,27-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca India Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of wild type Mycobacterium tuberculosis inhA |
J Med Chem 56: 8533-42 (2013)
Article DOI: 10.1021/jm4012033
BindingDB Entry DOI: 10.7270/Q2SB4769 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50362985
(CHEMBL1945502)Show SMILES COc1ccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)cc1CCCN(C)C Show InChI InChI=1S/C24H26ClN5OS/c1-30(2)10-4-5-15-11-18(7-9-21(15)31-3)27-24-26-14-16-12-22(32)28-20-13-17(25)6-8-19(20)23(16)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,28,32)(H,26,27,29) | PDB
MMDB
NCI pathway
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 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
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 | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50442997
(CHEMBL3088172)Show SMILES Cc1csc(n1)[C@](C)(O)c1nnc(Nc2ccn(Cc3c(F)cccc3F)n2)s1 |r| Show InChI InChI=1S/C18H16F2N6OS2/c1-10-9-28-15(21-10)18(2,27)16-23-24-17(29-16)22-14-6-7-26(25-14)8-11-12(19)4-3-5-13(11)20/h3-7,9,27H,8H2,1-2H3,(H,22,24,25)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca India Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis full length inhA expressed in Escherichia coli BL21 preincubated for 15 mins by fluorescence based assay in ... |
J Med Chem 56: 8533-42 (2013)
Article DOI: 10.1021/jm4012033
BindingDB Entry DOI: 10.7270/Q2SB4769 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50443004
(CHEMBL3088173)Show SMILES Cc1csc(n1)C(C)(O)c1nnc(Nc2ccn(Cc3c(F)cccc3F)n2)s1 Show InChI InChI=1S/C18H16F2N6OS2/c1-10-9-28-15(21-10)18(2,27)16-23-24-17(29-16)22-14-6-7-26(25-14)8-11-12(19)4-3-5-13(11)20/h3-7,9,27H,8H2,1-2H3,(H,22,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca India Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis full length inhA expressed in Escherichia coli BL21 preincubated for 15 mins by fluorescence based assay in ... |
J Med Chem 56: 8533-42 (2013)
Article DOI: 10.1021/jm4012033
BindingDB Entry DOI: 10.7270/Q2SB4769 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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) | 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 | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50362988
(CHEMBL1945500)Show SMILES CN(C)CCCc1cc(Cl)cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C23H23Cl2N5S/c1-30(2)7-3-4-14-8-17(25)11-18(9-14)27-23-26-13-15-10-21(31)28-20-12-16(24)5-6-19(20)22(15)29-23/h5-6,8-9,11-13H,3-4,7,10H2,1-2H3,(H,28,31)(H,26,27,29) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50362985
(CHEMBL1945502)Show SMILES COc1ccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)cc1CCCN(C)C Show InChI InChI=1S/C24H26ClN5OS/c1-30(2)10-4-5-15-11-18(7-9-21(15)31-3)27-24-26-14-16-12-22(32)28-20-13-17(25)6-8-19(20)23(16)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,28,32)(H,26,27,29) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
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) | 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 | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50362986
(CHEMBL1945501)Show SMILES CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1F Show InChI InChI=1S/C23H23ClFN5S/c1-30(2)9-3-4-14-10-17(6-8-19(14)25)27-23-26-13-15-11-21(31)28-20-12-16(24)5-7-18(20)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,28,31)(H,26,27,29) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
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 | |
Interleukin-2
(Homo sapiens (Human)) | BDBM50575333
(CHEMBL4857063)Show SMILES Fc1cccc(F)c1C(=O)Nc1ccc(cc1)-c1cc(ccc1Cl)C(F)(F)F | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PHA-stimulated IL2 secretion in human Jurkat T cells preincubated for 10 mins followed by PHA addition and measured after 20 to 24 hrs ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01403
BindingDB Entry DOI: 10.7270/Q2C82F4Q |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50362984
(CHEMBL1945801)Show SMILES CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1C(F)(F)F Show InChI InChI=1S/C24H23ClF3N5S/c1-33(2)9-3-4-14-10-17(6-8-19(14)24(26,27)28)30-23-29-13-15-11-21(34)31-20-12-16(25)5-7-18(20)22(15)32-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,31,34)(H,29,30,32) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50362982
(CHEMBL1945170)Show SMILES CN(C)CCCc1cccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C23H24ClN5S/c1-29(2)10-4-6-15-5-3-7-18(11-15)26-23-25-14-16-12-21(30)27-20-13-17(24)8-9-19(20)22(16)28-23/h3,5,7-9,11,13-14H,4,6,10,12H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50362981
(CHEMBL1945171)Show SMILES CN(C)CCCc1ccc(C)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C24H26ClN5S/c1-15-6-7-16(5-4-10-30(2)3)11-20(15)28-24-26-14-17-12-22(31)27-21-13-18(25)8-9-19(21)23(17)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,27,31)(H,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
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 | |
Interleukin-2
(Homo sapiens (Human)) | BDBM50575331
(CHEMBL4868242)Show SMILES Cc1c(cccc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1)-c1nn(C)c(=O)o1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PHA-stimulated IL2 secretion in human Jurkat T cells preincubated for 10 mins followed by PHA addition and measured after 20 to 24 hrs ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01403
BindingDB Entry DOI: 10.7270/Q2C82F4Q |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50362976
(CHEMBL1945803)Show SMILES CN(C)CCCc1cncc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C22H23ClN6S/c1-29(2)7-3-4-14-8-17(13-24-11-14)26-22-25-12-15-9-20(30)27-19-10-16(23)5-6-18(19)21(15)28-22/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
MMDB
NCI pathway
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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50362976
(CHEMBL1945803)Show SMILES CN(C)CCCc1cncc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C22H23ClN6S/c1-29(2)7-3-4-14-8-17(13-24-11-14)26-22-25-12-15-9-20(30)27-19-10-16(23)5-6-18(19)21(15)28-22/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
MMDB
NCI pathway
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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FGFR1 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
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 | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50362982
(CHEMBL1945170)Show SMILES CN(C)CCCc1cccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C23H24ClN5S/c1-29(2)10-4-6-15-5-3-7-18(11-15)26-23-25-14-16-12-21(30)27-20-13-17(24)8-9-19(20)22(16)28-23/h3,5,7-9,11,13-14H,4,6,10,12H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FGFR1 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50362982
(CHEMBL1945170)Show SMILES CN(C)CCCc1cccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C23H24ClN5S/c1-29(2)10-4-6-15-5-3-7-18(11-15)26-23-25-14-16-12-21(30)27-20-13-17(24)8-9-19(20)22(16)28-23/h3,5,7-9,11,13-14H,4,6,10,12H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
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 | |
Interleukin-2
(Homo sapiens (Human)) | BDBM50575332
(CHEMBL4869725)Show SMILES Cc1c(cccc1-c1ccc(NC(=O)c2c(F)cccc2Cl)cc1)-c1nn(C)c(=O)o1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PHA-stimulated IL2 secretion in human Jurkat T cells preincubated for 10 mins followed by PHA addition and measured after 20 to 24 hrs ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01403
BindingDB Entry DOI: 10.7270/Q2C82F4Q |
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 | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50362981
(CHEMBL1945171)Show SMILES CN(C)CCCc1ccc(C)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C24H26ClN5S/c1-15-6-7-16(5-4-10-30(2)3)11-20(15)28-24-26-14-17-12-22(31)27-21-13-18(25)8-9-19(21)23(17)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,27,31)(H,26,28,29) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50362982
(CHEMBL1945170)Show SMILES CN(C)CCCc1cccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C23H24ClN5S/c1-29(2)10-4-6-15-5-3-7-18(11-15)26-23-25-14-16-12-21(30)27-20-13-17(24)8-9-19(20)22(16)28-23/h3,5,7-9,11,13-14H,4,6,10,12H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRb |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
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 | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50362976
(CHEMBL1945803)Show SMILES CN(C)CCCc1cncc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C22H23ClN6S/c1-29(2)7-3-4-14-8-17(13-24-11-14)26-22-25-12-15-9-20(30)27-19-10-16(23)5-6-18(19)21(15)28-22/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KIT |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50443005
(CHEMBL3088171)Show InChI InChI=1S/C21H19N3O2/c1-26-21(25)18-14-24-19-10-9-16(13-22)12-17(19)20(18)23-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14H,5,8,11H2,1H3,(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca India Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis full length inhA expressed in Escherichia coli BL21 preincubated for 15 mins by fluorescence based assay in ... |
J Med Chem 56: 8533-42 (2013)
Article DOI: 10.1021/jm4012033
BindingDB Entry DOI: 10.7270/Q2SB4769 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50362986
(CHEMBL1945501)Show SMILES CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1F Show InChI InChI=1S/C23H23ClFN5S/c1-30(2)9-3-4-14-10-17(6-8-19(14)25)27-23-26-13-15-11-21(31)28-20-12-16(24)5-7-18(20)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,28,31)(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
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 | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50443007
(CHEMBL1236225 | PT70)Show InChI InChI=1S/C19H24O2/c1-3-4-5-6-10-16-12-13-19(17(20)14-16)21-18-11-8-7-9-15(18)2/h7-9,11-14,20H,3-6,10H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca India Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of wild type Mycobacterium tuberculosis inhA |
J Med Chem 56: 8533-42 (2013)
Article DOI: 10.1021/jm4012033
BindingDB Entry DOI: 10.7270/Q2SB4769 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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) | 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 | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50362986
(CHEMBL1945501)Show SMILES CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1F Show InChI InChI=1S/C23H23ClFN5S/c1-30(2)9-3-4-14-10-17(6-8-19(14)25)27-23-26-13-15-11-21(31)28-20-12-16(24)5-7-18(20)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,28,31)(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRb |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
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 | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50362976
(CHEMBL1945803)Show SMILES CN(C)CCCc1cncc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C22H23ClN6S/c1-29(2)7-3-4-14-8-17(13-24-11-14)26-22-25-12-15-9-20(30)27-19-10-16(23)5-6-18(19)21(15)28-22/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
MMDB
NCI pathway
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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRb |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50362985
(CHEMBL1945502)Show SMILES COc1ccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)cc1CCCN(C)C Show InChI InChI=1S/C24H26ClN5OS/c1-30(2)10-4-5-15-11-18(7-9-21(15)31-3)27-24-26-14-16-12-22(32)28-20-13-17(25)6-8-19(20)23(16)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,28,32)(H,26,27,29) | PDB
MMDB
NCI pathway
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 |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRb |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50362982
(CHEMBL1945170)Show SMILES CN(C)CCCc1cccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C23H24ClN5S/c1-29(2)10-4-6-15-5-3-7-18(11-15)26-23-25-14-16-12-21(30)27-20-13-17(24)8-9-19(20)22(16)28-23/h3,5,7-9,11,13-14H,4,6,10,12H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
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 | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50443002
(CHEMBL3088175)Show SMILES Cc1csc(n1)C(C)(O)c1nnc(Nc2ncn(Cc3c(F)cccc3F)n2)s1 Show InChI InChI=1S/C17H15F2N7OS2/c1-9-7-28-13(21-9)17(2,27)14-23-24-16(29-14)22-15-20-8-26(25-15)6-10-11(18)4-3-5-12(10)19/h3-5,7-8,27H,6H2,1-2H3,(H,22,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca India Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis full length inhA expressed in Escherichia coli BL21 preincubated for 15 mins by fluorescence based assay in ... |
J Med Chem 56: 8533-42 (2013)
Article DOI: 10.1021/jm4012033
BindingDB Entry DOI: 10.7270/Q2SB4769 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50362976
(CHEMBL1945803)Show SMILES CN(C)CCCc1cncc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C22H23ClN6S/c1-29(2)7-3-4-14-8-17(13-24-11-14)26-22-25-12-15-9-20(30)27-19-10-16(23)5-6-18(19)21(15)28-22/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Interleukin-2
(Homo sapiens (Human)) | BDBM50575328
(CHEMBL4868367)Show SMILES CCc1ccc(cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1)C1=NOC(C)(C)C1=O |t:28| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PHA-stimulated IL2 secretion in human Jurkat T cells preincubated for 10 mins followed by PHA addition and measured after 20 to 24 hrs ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01403
BindingDB Entry DOI: 10.7270/Q2C82F4Q |
More data for this
Ligand-Target Pair | |
Interleukin-2
(Homo sapiens (Human)) | BDBM50575327
(CHEMBL4848840)Show SMILES Cc1ccc(cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1)C1=NOC(C)(C)C1=O |t:27| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PHA-stimulated IL2 secretion in human Jurkat T cells preincubated for 10 mins followed by PHA addition and measured after 20 to 24 hrs ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01403
BindingDB Entry DOI: 10.7270/Q2C82F4Q |
More data for this
Ligand-Target Pair | |
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