Found 350 hits with Last Name = 'zhang' and Initial = 'xx' 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 |
|---|
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50086502
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human MAO-B using farnesylamine as substrate by horseradish peroxidase-Amplex red-coupled assay |
Eur J Med Chem 145: 588-593 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50285537
(CHEMBL4166771)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NC)ncc2N(C)C1=O |r| Show InChI InChI=1S/C21H28N6O3S/c1-4-17-20(28)26(3)18-13-23-21(25-19(18)27(17)15-7-5-6-8-15)24-14-9-11-16(12-10-14)31(29,30)22-2/h9-13,15,17,22H,4-8H2,1-3H3,(H,23,24,25)/t17-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50285547
(CHEMBL4171770)Show SMILES CCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1 |r| Show InChI InChI=1S/C25H30N6O2/c1-4-19-24(33)29(3)21-15-27-25(28-22(21)31(19)18-8-6-7-9-18)30-13-12-16-14-17(10-11-20(16)30)23(32)26-5-2/h10-15,18-19H,4-9H2,1-3H3,(H,26,32)/t19-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM25121
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50248709
(CHEMBL4103517)Show SMILES COc1ccc(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2NC(=S)Nc2ccc(cc2)S(N)(=O)=O)c(OC)c1 |r| Show InChI InChI=1S/C24H30N4O9S2/c1-35-15-7-3-13(17(11-15)36-2)4-10-19(30)27-20-22(32)21(31)18(12-29)37-23(20)28-24(38)26-14-5-8-16(9-6-14)39(25,33)34/h3-11,18,20-23,29,31-32H,12H2,1-2H3,(H,27,30)(H2,25,33,34)(H2,26,28,38)/b10-4+/t18-,20-,21-,22-,23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometr... |
Eur J Med Chem 132: 1-10 (2017)
Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50285531
(CHEMBL4175722)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C28H34N6O2/c1-3-22-27(36)32(2)24-17-29-28(31-25(24)34(22)21-10-6-7-11-21)33-15-14-18-16-19(12-13-23(18)33)26(35)30-20-8-4-5-9-20/h12-17,20-22H,3-11H2,1-2H3,(H,30,35)/t22-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50285587
(CHEMBL4176983)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCO)ncc2N(C)C1=O |r| Show InChI InChI=1S/C22H30N6O4S/c1-3-18-21(30)27(2)19-14-23-22(26-20(19)28(18)16-6-4-5-7-16)25-15-8-10-17(11-9-15)33(31,32)24-12-13-29/h8-11,14,16,18,24,29H,3-7,12-13H2,1-2H3,(H,23,25,26)/t18-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50285526
(CHEMBL4169129)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCCO)ncc2N(C)C1=O |r| Show InChI InChI=1S/C23H32N6O4S/c1-3-19-22(31)28(2)20-15-24-23(27-21(20)29(19)17-7-4-5-8-17)26-16-9-11-18(12-10-16)34(32,33)25-13-6-14-30/h9-12,15,17,19,25,30H,3-8,13-14H2,1-2H3,(H,24,26,27)/t19-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50285580
(CHEMBL4163892)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC |r| Show InChI InChI=1S/C24H28N6O2/c1-4-18-23(32)28(3)20-14-26-24(27-21(20)30(18)17-7-5-6-8-17)29-12-11-15-13-16(22(31)25-2)9-10-19(15)29/h9-14,17-18H,4-8H2,1-3H3,(H,25,31)/t18-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50285583
(CHEMBL4168155)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc2N(C)C1=O |r| Show InChI InChI=1S/C20H26N6O3S/c1-3-16-19(27)25(2)17-12-22-20(24-18(17)26(16)14-6-4-5-7-14)23-13-8-10-15(11-9-13)30(21,28)29/h8-12,14,16H,3-7H2,1-2H3,(H2,21,28,29)(H,22,23,24)/t16-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| 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 |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM10989
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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MCE
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ... |
Eur J Med Chem 145: 588-593 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50285586
(CHEMBL4164012)Show SMILES CCCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1 |r| Show InChI InChI=1S/C26H32N6O2/c1-4-13-27-24(33)18-10-11-21-17(15-18)12-14-31(21)26-28-16-22-23(29-26)32(19-8-6-7-9-19)20(5-2)25(34)30(22)3/h10-12,14-16,19-20H,4-9,13H2,1-3H3,(H,27,33)/t20-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| 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 |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity towards HSV-1 thymidine kinase |
Eur J Med Chem 132: 1-10 (2017)
Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM25121
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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CHEMBL
MCE
MMDB
PC cid
PC sid
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UniChem
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| PDB
Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50285537
(CHEMBL4166771)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NC)ncc2N(C)C1=O |r| Show InChI InChI=1S/C21H28N6O3S/c1-4-17-20(28)26(3)18-13-23-21(25-19(18)27(17)15-7-5-6-8-15)24-14-9-11-16(12-10-14)31(29,30)22-2/h9-13,15,17,22H,4-8H2,1-3H3,(H,23,24,25)/t17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50285528
(CHEMBL4160611)Show SMILES CCCCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1 |r| Show InChI InChI=1S/C27H34N6O2/c1-4-6-14-28-25(34)19-11-12-22-18(16-19)13-15-32(22)27-29-17-23-24(30-27)33(20-9-7-8-10-20)21(5-2)26(35)31(23)3/h11-13,15-17,20-21H,4-10,14H2,1-3H3,(H,28,34)/t21-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50285539
(CHEMBL4174667)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC(C)C |r| Show InChI InChI=1S/C26H32N6O2/c1-5-20-25(34)30(4)22-15-27-26(29-23(22)32(20)19-8-6-7-9-19)31-13-12-17-14-18(10-11-21(17)31)24(33)28-16(2)3/h10-16,19-20H,5-9H2,1-4H3,(H,28,33)/t20-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50593067
(CHEMBL3408216)Show SMILES Cn1ncc2cc(ccc12)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00820
BindingDB Entry DOI: 10.7270/Q25X2DX9 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50285529
(CHEMBL4177399)Show SMILES CCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)cc1 |r| Show InChI InChI=1S/C23H32N6O3S/c1-4-14-25-33(31,32)18-12-10-16(11-13-18)26-23-24-15-20-21(27-23)29(17-8-6-7-9-17)19(5-2)22(30)28(20)3/h10-13,15,17,19,25H,4-9,14H2,1-3H3,(H,24,26,27)/t19-/m1/s1 | PDB
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Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan University of Chinese Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COX2 using fluorometric substrate after 15 mins |
Bioorg Med Chem Lett 25: 1986-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.017
BindingDB Entry DOI: 10.7270/Q27946CT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
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Article
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan University of Chinese Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid after 15 mins by fluorescence based assay |
Bioorg Med Chem Lett 25: 4082-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.034
BindingDB Entry DOI: 10.7270/Q25X2BR7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50285588
(CHEMBL4171224)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NCC(C)C |r| Show InChI InChI=1S/C27H34N6O2/c1-5-21-26(35)31(4)23-16-29-27(30-24(23)33(21)20-8-6-7-9-20)32-13-12-18-14-19(10-11-22(18)32)25(34)28-15-17(2)3/h10-14,16-17,20-21H,5-9,15H2,1-4H3,(H,28,34)/t21-/m1/s1 | PDB
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Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50291895
(CHEMBL4177176)Show SMILES Clc1ccc(cc1)C(=O)Nc1cccc(CCOc2cccc3C(CCc23)NCC#C)c1 Show InChI InChI=1S/C27H25ClN2O2/c1-2-16-29-25-14-13-24-23(25)7-4-8-26(24)32-17-15-19-5-3-6-22(18-19)30-27(31)20-9-11-21(28)12-10-20/h1,3-12,18,25,29H,13-17H2,(H,30,31) | PDB
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Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by ... |
Eur J Med Chem 145: 588-593 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.029
BindingDB Entry DOI: 10.7270/Q2JD50CJ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50285582
(CHEMBL4170176)Show SMILES CCCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)cc1 |r| Show InChI InChI=1S/C24H34N6O3S/c1-4-6-15-26-34(32,33)19-13-11-17(12-14-19)27-24-25-16-21-22(28-24)30(18-9-7-8-10-18)20(5-2)23(31)29(21)3/h11-14,16,18,20,26H,4-10,15H2,1-3H3,(H,25,27,28)/t20-/m1/s1 | PDB
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Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM25121
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant GST-tagged Plk3 catalytic domain (58 to 340 residues) expressed in baculovirus expression system after 1 hr by FRET-base... |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50285545
(CHEMBL4162262)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCC(C)C)ncc2N(C)C1=O |r| Show InChI InChI=1S/C24H34N6O3S/c1-5-20-23(31)29(4)21-15-25-24(28-22(21)30(20)18-8-6-7-9-18)27-17-10-12-19(13-11-17)34(32,33)26-14-16(2)3/h10-13,15-16,18,20,26H,5-9,14H2,1-4H3,(H,25,27,28)/t20-/m1/s1 | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50285581
(CHEMBL4173620)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NC3CCCC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C25H34N6O3S/c1-3-21-24(32)30(2)22-16-26-25(28-23(22)31(21)19-10-6-7-11-19)27-17-12-14-20(15-13-17)35(33,34)29-18-8-4-5-9-18/h12-16,18-19,21,29H,3-11H2,1-2H3,(H,26,27,28)/t21-/m1/s1 | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50285587
(CHEMBL4176983)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCO)ncc2N(C)C1=O |r| Show InChI InChI=1S/C22H30N6O4S/c1-3-18-21(30)27(2)19-14-23-22(26-20(19)28(18)16-6-4-5-7-16)25-15-8-10-17(11-9-15)33(31,32)24-12-13-29/h8-11,14,16,18,24,29H,3-7,12-13H2,1-2H3,(H,23,25,26)/t18-/m1/s1 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50248709
(CHEMBL4103517)Show SMILES COc1ccc(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2NC(=S)Nc2ccc(cc2)S(N)(=O)=O)c(OC)c1 |r| Show InChI InChI=1S/C24H30N4O9S2/c1-35-15-7-3-13(17(11-15)36-2)4-10-19(30)27-20-22(32)21(31)18(12-29)37-23(20)28-24(38)26-14-5-8-16(9-6-14)39(25,33)34/h3-11,18,20-23,29,31-32H,12H2,1-2H3,(H,27,30)(H2,25,33,34)(H2,26,28,38)/b10-4+/t18-,20-,21-,22-,23-/m1/s1 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity towards HSV-1 thymidine kinase |
Eur J Med Chem 132: 1-10 (2017)
Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50285525
(CHEMBL4161572)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(N)=O |r| Show InChI InChI=1S/C23H26N6O2/c1-3-17-22(31)27(2)19-13-25-23(26-21(19)29(17)16-6-4-5-7-16)28-11-10-14-12-15(20(24)30)8-9-18(14)28/h8-13,16-17H,3-7H2,1-2H3,(H2,24,30)/t17-/m1/s1 | PDB
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
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| Article
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometr... |
Eur J Med Chem 132: 1-10 (2017)
Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50285526
(CHEMBL4169129)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCCO)ncc2N(C)C1=O |r| Show InChI InChI=1S/C23H32N6O4S/c1-3-19-22(31)28(2)20-15-24-23(27-21(20)29(19)17-7-4-5-8-17)26-16-9-11-18(12-10-16)34(32,33)25-13-6-14-30/h9-12,15,17,19,25,30H,3-8,13-14H2,1-2H3,(H,24,26,27)/t19-/m1/s1 | PDB
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| PC cid
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50248718
(CHEMBL4075252)Show SMILES COc1cccc(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2NC(=S)Nc2ccc(cc2)S(N)(=O)=O)c1OC |r| Show InChI InChI=1S/C24H30N4O9S2/c1-35-16-5-3-4-13(22(16)36-2)6-11-18(30)27-19-21(32)20(31)17(12-29)37-23(19)28-24(38)26-14-7-9-15(10-8-14)39(25,33)34/h3-11,17,19-21,23,29,31-32H,12H2,1-2H3,(H,27,30)(H2,25,33,34)(H2,26,28,38)/b11-6+/t17-,19-,20-,21-,23-/m1/s1 | PDB
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Reactome pathway
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| PC cid
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometr... |
Eur J Med Chem 132: 1-10 (2017)
Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50248718
(CHEMBL4075252)Show SMILES COc1cccc(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2NC(=S)Nc2ccc(cc2)S(N)(=O)=O)c1OC |r| Show InChI InChI=1S/C24H30N4O9S2/c1-35-16-5-3-4-13(22(16)36-2)6-11-18(30)27-19-21(32)20(31)17(12-29)37-23(19)28-24(38)26-14-7-9-15(10-8-14)39(25,33)34/h3-11,17,19-21,23,29,31-32H,12H2,1-2H3,(H,27,30)(H2,25,33,34)(H2,26,28,38)/b11-6+/t17-,19-,20-,21-,23-/m1/s1 | PDB
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Reactome pathway
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| PC cid
PC sid
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| Article
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometr... |
Eur J Med Chem 132: 1-10 (2017)
Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50285529
(CHEMBL4177399)Show SMILES CCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)cc1 |r| Show InChI InChI=1S/C23H32N6O3S/c1-4-14-25-33(31,32)18-12-10-16(11-13-18)26-23-24-15-20-21(27-23)29(17-8-6-7-9-17)19(5-2)22(30)28(20)3/h10-13,15,17,19,25H,4-9,14H2,1-3H3,(H,24,26,27)/t19-/m1/s1 | PDB
MMDB
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Reactome pathway
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50459995
(CHEMBL4225966 | US11471446, Compound DBA-10)Show InChI InChI=1S/C15H18Br2N4/c1-9-11(16)12(17)10-3-2-6-21-14(10)13(9)19-15(21)20-7-4-18-5-8-20/h18H,2-8H2,1H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00820
BindingDB Entry DOI: 10.7270/Q25X2DX9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50248710
(CHEMBL4070358)Show SMILES COc1cc(OC)c(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2NC(=S)Nc2ccc(cc2)S(N)(=O)=O)cc1OC |r| Show InChI InChI=1S/C25H32N4O10S2/c1-36-16-11-18(38-3)17(37-2)10-13(16)4-9-20(31)28-21-23(33)22(32)19(12-30)39-24(21)29-25(40)27-14-5-7-15(8-6-14)41(26,34)35/h4-11,19,21-24,30,32-33H,12H2,1-3H3,(H,28,31)(H2,26,34,35)(H2,27,29,40)/b9-4+/t19-,21-,22-,23-,24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometr... |
Eur J Med Chem 132: 1-10 (2017)
Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50285537
(CHEMBL4166771)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NC)ncc2N(C)C1=O |r| Show InChI InChI=1S/C21H28N6O3S/c1-4-17-20(28)26(3)18-13-23-21(25-19(18)27(17)15-7-5-6-8-15)24-14-9-11-16(12-10-14)31(29,30)22-2/h9-13,15,17,22H,4-8H2,1-3H3,(H,23,24,25)/t17-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| PC cid
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant GST-tagged Plk3 catalytic domain (58 to 340 residues) expressed in baculovirus expression system after 1 hr by FRET-base... |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50589858
(CHEMBL5177635)Show SMILES [H][C@@]12CS[C@@H](CCCCC(=O)NCC3CCN(CC(=O)Nc4ccc(Oc5ccc(NC(=O)Nc6cccc(c6)C(F)(F)F)cc5)cn4)CC3)[C@]1([H])NC(=O)N2 |r| | PDB
Reactome pathway
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| PC cid
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01042
BindingDB Entry DOI: 10.7270/Q28W3J8D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50073190
(CHEMBL3408213 | US11471446, Compound DBA-11)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01042
BindingDB Entry DOI: 10.7270/Q28W3J8D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50593078
(CHEMBL5188580)Show SMILES Cc1ccc(NC(=O)CCc2cccc(c2)-c2cnc3[nH]cc(Br)c3c2)cc1C(F)(F)F | PDB
Reactome pathway
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00820
BindingDB Entry DOI: 10.7270/Q25X2DX9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50589842
(CHEMBL5183125) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01042
BindingDB Entry DOI: 10.7270/Q28W3J8D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50285582
(CHEMBL4170176)Show SMILES CCCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)cc1 |r| Show InChI InChI=1S/C24H34N6O3S/c1-4-6-15-26-34(32,33)19-13-11-17(12-14-19)27-24-25-16-21-22(28-24)30(18-9-7-8-10-18)20(5-2)23(31)29(21)3/h11-14,16,18,20,26H,4-10,15H2,1-3H3,(H,25,27,28)/t20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
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PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50285531
(CHEMBL4175722)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C28H34N6O2/c1-3-22-27(36)32(2)24-17-29-28(31-25(24)34(22)21-10-6-7-11-21)33-15-14-18-16-19(12-13-23(18)33)26(35)30-20-8-4-5-9-20/h12-17,20-22H,3-11H2,1-2H3,(H,30,35)/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50248707
(CHEMBL4075581)Show SMILES COc1cccc(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2NC(=S)Nc2ccc(cc2)S(N)(=O)=O)c1 |r| Show InChI InChI=1S/C23H28N4O8S2/c1-34-15-4-2-3-13(11-15)5-10-18(29)26-19-21(31)20(30)17(12-28)35-22(19)27-23(36)25-14-6-8-16(9-7-14)37(24,32)33/h2-11,17,19-22,28,30-31H,12H2,1H3,(H,26,29)(H2,24,32,33)(H2,25,27,36)/b10-5+/t17-,19-,20-,21-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity towards HSV-1 thymidine kinase |
Eur J Med Chem 132: 1-10 (2017)
Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50248719
(CHEMBL4096770)Show SMILES COc1cc(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2NC(=S)Nc2ccc(cc2)S(N)(=O)=O)cc(OC)c1OC |r| Show InChI InChI=1S/C25H32N4O10S2/c1-36-16-10-13(11-17(37-2)23(16)38-3)4-9-19(31)28-20-22(33)21(32)18(12-30)39-24(20)29-25(40)27-14-5-7-15(8-6-14)41(26,34)35/h4-11,18,20-22,24,30,32-33H,12H2,1-3H3,(H,28,31)(H2,26,34,35)(H2,27,29,40)/b9-4+/t18-,20-,21-,22-,24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometr... |
Eur J Med Chem 132: 1-10 (2017)
Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50589846
(CHEMBL5190752)Show SMILES Nc1ccc(Oc2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)cn1 | PDB
Reactome pathway
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01042
BindingDB Entry DOI: 10.7270/Q28W3J8D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50589841
(CHEMBL5187701) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01042
BindingDB Entry DOI: 10.7270/Q28W3J8D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50285545
(CHEMBL4162262)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCC(C)C)ncc2N(C)C1=O |r| Show InChI InChI=1S/C24H34N6O3S/c1-5-20-23(31)29(4)21-15-25-24(28-22(21)30(20)18-8-6-7-9-18)27-17-10-12-19(13-11-17)34(32,33)26-14-16(2)3/h10-13,15-16,18,20,26H,5-9,14H2,1-4H3,(H,25,27,28)/t20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay |
Eur J Med Chem 143: 724-731 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.058
BindingDB Entry DOI: 10.7270/Q27D2XPT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50593061
(CHEMBL5183704)Show SMILES Cc1ccc(NC(=O)CCc2cccc(c2)-c2cnc3[nH]ccc3c2)cc1C(F)(F)F | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00820
BindingDB Entry DOI: 10.7270/Q25X2DX9 |
More data for this
Ligand-Target Pair | |
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