Found 26 hits with Last Name = 'mcnae' and Initial = 'iw' 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 |
|---|
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50341878
((2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazo...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2n[nH]c(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-14(11-26)21-19-22-16-15(12(2)3)24-25-17(16)18(23-19)20-10-13-8-6-5-7-9-13/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,24,25)(H2,20,21,22,23)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
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 |
Palacky£? University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK2/cyclin E |
J Med Chem 54: 2980-93 (2011)
Article DOI: 10.1021/jm200064p
BindingDB Entry DOI: 10.7270/Q20K28XN |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50341878
((2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazo...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2n[nH]c(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-14(11-26)21-19-22-16-15(12(2)3)24-25-17(16)18(23-19)20-10-13-8-6-5-7-9-13/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,24,25)(H2,20,21,22,23)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Palacky£? University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK7/cyclin H/MAT1 |
J Med Chem 54: 2980-93 (2011)
Article DOI: 10.1021/jm200064p
BindingDB Entry DOI: 10.7270/Q20K28XN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50341878
((2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazo...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2n[nH]c(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-14(11-26)21-19-22-16-15(12(2)3)24-25-17(16)18(23-19)20-10-13-8-6-5-7-9-13/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,24,25)(H2,20,21,22,23)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Palacky£? University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p35 |
J Med Chem 54: 2980-93 (2011)
Article DOI: 10.1021/jm200064p
BindingDB Entry DOI: 10.7270/Q20K28XN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Palacky£? University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK2/cyclin E |
J Med Chem 54: 2980-93 (2011)
Article DOI: 10.1021/jm200064p
BindingDB Entry DOI: 10.7270/Q20K28XN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Palacky£? University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK7/cyclin H/MAT1 |
J Med Chem 54: 2980-93 (2011)
Article DOI: 10.1021/jm200064p
BindingDB Entry DOI: 10.7270/Q20K28XN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Palacky£? University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p35 |
J Med Chem 54: 2980-93 (2011)
Article DOI: 10.1021/jm200064p
BindingDB Entry DOI: 10.7270/Q20K28XN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50341878
((2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazo...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2n[nH]c(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-14(11-26)21-19-22-16-15(12(2)3)24-25-17(16)18(23-19)20-10-13-8-6-5-7-9-13/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,24,25)(H2,20,21,22,23)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palacky£? University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK9/cyclin T1 |
J Med Chem 54: 2980-93 (2011)
Article DOI: 10.1021/jm200064p
BindingDB Entry DOI: 10.7270/Q20K28XN |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palacky£? University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK9/cyclin T1 |
J Med Chem 54: 2980-93 (2011)
Article DOI: 10.1021/jm200064p
BindingDB Entry DOI: 10.7270/Q20K28XN |
More data for this
Ligand-Target Pair | |
ATP-dependent 6-phosphofructokinase
(Trypanosoma brucei) | BDBM50270350
(2,5-Anhydro-1-deoxy-1-(3,4-dichlorobenzylamino)-D-...)Show SMILES O[C@H]1[C@H](O)[C@H](O[C@@H]1CNCc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H20Cl4N2O4/c21-12-3-1-10(5-14(12)23)7-25-9-16-17(27)18(28)19(30-16)20(29)26-8-11-2-4-13(22)15(24)6-11/h1-6,16-19,25,27-28H,7-9H2,(H,26,29)/t16-,17-,18+,19+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei phosphofructokinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
Pyruvate kinase
(Leishmania mexicana) | BDBM50270352
((2S,3S,4S,5R)-N-cycloheptyl-5-((cycloheptylamino)m...)Show SMILES O[C@H]1[C@H](O)[C@H](O[C@@H]1CNC1CCCCCC1)C(=O)NC1CCCCCC1 |r| Show InChI InChI=1S/C20H36N2O4/c23-17-16(13-21-14-9-5-1-2-6-10-14)26-19(18(17)24)20(25)22-15-11-7-3-4-8-12-15/h14-19,21,23-24H,1-13H2,(H,22,25)/t16-,17-,18+,19+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Leishmania mexicana pyruvate kinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
ATP-dependent 6-phosphofructokinase
(Trypanosoma brucei) | BDBM50270447
((2S,3S,4S,5R)-N-(3,4-dichlorobenzyl)-5-((cyclohept...)Show SMILES O[C@H]1[C@H](O)[C@H](O[C@@H]1CNC1CCCCCC1)C(=O)NCc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H28Cl2N2O4/c21-14-8-7-12(9-15(14)22)10-24-20(27)19-18(26)17(25)16(28-19)11-23-13-5-3-1-2-4-6-13/h7-9,13,16-19,23,25-26H,1-6,10-11H2,(H,24,27)/t16-,17-,18+,19+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei phosphofructokinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
ATP-dependent 6-phosphofructokinase
(Trypanosoma brucei) | BDBM50270348
((2S,3S,4S,5R)-5-((3,4-dichlorobenzylamino)methyl)-...)Show SMILES O[C@H]1[C@H](O)[C@H](O[C@@H]1CNCc1ccc(Cl)c(Cl)c1)C(=O)NCC=C |r| Show InChI InChI=1S/C16H20Cl2N2O4/c1-2-5-20-16(23)15-14(22)13(21)12(24-15)8-19-7-9-3-4-10(17)11(18)6-9/h2-4,6,12-15,19,21-22H,1,5,7-8H2,(H,20,23)/t12-,13-,14+,15+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei phosphofructokinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
Pyruvate kinase
(Leishmania mexicana) | BDBM50270448
((2S,3S,4S,5R)-5-((cycloheptylamino)methyl)-3,4-dih...)Show SMILES O[C@H]1[C@H](O)[C@H](O[C@@H]1CNC1CCCCCC1)C(=O)Nc1cccc(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C19H27N3O6/c23-16-15(11-20-12-6-3-1-2-4-7-12)28-18(17(16)24)19(25)21-13-8-5-9-14(10-13)22(26)27/h5,8-10,12,15-18,20,23-24H,1-4,6-7,11H2,(H,21,25)/t15-,16-,17+,18+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Leishmania mexicana pyruvate kinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
Pyruvate kinase
(Leishmania mexicana) | BDBM50270344
(2,5-Anhydro-1-deoxy-1-(cycloheptylamino)-D-mannito...)Show SMILES OC[C@H]1O[C@H](CNC2CCCCCC2)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C13H25NO4/c15-8-11-13(17)12(16)10(18-11)7-14-9-5-3-1-2-4-6-9/h9-17H,1-8H2/t10-,11-,12-,13-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Leishmania mexicana pyruvate kinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
ATP-dependent 6-phosphofructokinase
(Trypanosoma brucei) | BDBM50270351
((2S,3S,4S,5R)-5-((3,4-dichlorobenzylamino)methyl)-...)Show SMILES O[C@H]1[C@H](O)[C@H](O[C@@H]1CNCc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1 |r| Show InChI InChI=1S/C20H28Cl2N2O4/c21-14-8-7-12(9-15(14)22)10-23-11-16-17(25)18(26)19(28-16)20(27)24-13-5-3-1-2-4-6-13/h7-9,13,16-19,23,25-26H,1-6,10-11H2,(H,24,27)/t16-,17-,18+,19+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei phosphofructokinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
ATP-dependent 6-phosphofructokinase
(Trypanosoma brucei) | BDBM50270460
(2,5-Anhydro-1-deoxy-1-(3,4-dichlorobenzylamino)-D-...)Show SMILES OC[C@H]1O[C@H](CNCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C13H17Cl2NO4/c14-8-2-1-7(3-9(8)15)4-16-5-10-12(18)13(19)11(6-17)20-10/h1-3,10-13,16-19H,4-6H2/t10-,11-,12-,13-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei phosphofructokinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
Pyruvate kinase
(Leishmania mexicana) | BDBM50270341
((2R,3S,4S,5R)-2-(hydroxymethyl)-5-(((R)-1-(4-metho...)Show SMILES COc1ccc(cc1)[C@@H](C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C15H23NO5/c1-9(10-3-5-11(20-2)6-4-10)16-7-12-14(18)15(19)13(8-17)21-12/h3-6,9,12-19H,7-8H2,1-2H3/t9-,12-,13-,14-,15-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Leishmania mexicana pyruvate kinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
Pyruvate kinase
(Leishmania mexicana) | BDBM50270338
((2R,3S,4S,5R)-2-(hydroxymethyl)-5-((1,2,3,4-tetrah...)Show SMILES OC[C@H]1O[C@H](CNC2CCCc3ccccc23)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H23NO4/c18-9-14-16(20)15(19)13(21-14)8-17-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12-20H,3,5,7-9H2/t12?,13-,14-,15-,16-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Leishmania mexicana pyruvate kinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
Pyruvate kinase
(Leishmania mexicana) | BDBM50270343
((2R,3S,4S,5R)-2-(hydroxymethyl)-5-(((S)-1-(naphtha...)Show SMILES C[C@H](NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C18H23NO4/c1-11(13-7-6-12-4-2-3-5-14(12)8-13)19-9-15-17(21)18(22)16(10-20)23-15/h2-8,11,15-22H,9-10H2,1H3/t11-,15+,16+,17+,18+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Leishmania mexicana pyruvate kinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
Pyruvate kinase
(Leishmania mexicana) | BDBM50270349
((2R,3S,4S,5R)-2-(hydroxymethyl)-5-(((R)-1-(naphtha...)Show SMILES C[C@@H](NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C18H23NO4/c1-11(13-7-6-12-4-2-3-5-14(12)8-13)19-9-15-17(21)18(22)16(10-20)23-15/h2-8,11,15-22H,9-10H2,1H3/t11-,15-,16-,17-,18-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Leishmania mexicana pyruvate kinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
Pyruvate kinase
(Leishmania mexicana) | BDBM50270347
((2R,3S,4S,5R)-2-(((1R,2S,4R)-bicyclo[2.2.1]heptan-...)Show SMILES OC[C@H]1O[C@H](CN[C@H]2C[C@@H]3CC[C@@H]2C3)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C13H23NO4/c15-6-11-13(17)12(16)10(18-11)5-14-9-4-7-1-2-8(9)3-7/h7-17H,1-6H2/t7-,8-,9+,10-,11-,12-,13-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Leishmania mexicana pyruvate kinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
Pyruvate kinase
(Leishmania mexicana) | BDBM50270345
((2R,3S,4S,5R)-2-(hydroxymethyl)-5-(((S)-3-methylbu...)Show SMILES CC(C)[C@H](C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C11H23NO4/c1-6(2)7(3)12-4-8-10(14)11(15)9(5-13)16-8/h6-15H,4-5H2,1-3H3/t7-,8+,9+,10+,11+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Leishmania mexicana pyruvate kinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
Pyruvate kinase
(Leishmania mexicana) | BDBM50270474
((2R,3S,4S,5R)-2-(hydroxymethyl)-5-((pentan-2-ylami...)Show SMILES CCCC(C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C11H23NO4/c1-3-4-7(2)12-5-8-10(14)11(15)9(6-13)16-8/h7-15H,3-6H2,1-2H3/t7?,8-,9-,10-,11-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Leishmania mexicana pyruvate kinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
Pyruvate kinase
(Leishmania mexicana) | BDBM50270340
((2R,3S,4S,5R)-2-(hydroxymethyl)-5-(((S)-1-(4-metho...)Show SMILES COc1ccc(cc1)[C@H](C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C15H23NO5/c1-9(10-3-5-11(20-2)6-4-10)16-7-12-14(18)15(19)13(8-17)21-12/h3-6,9,12-19H,7-8H2,1-2H3/t9-,12+,13+,14+,15+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Leishmania mexicana pyruvate kinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
Pyruvate kinase
(Leishmania mexicana) | BDBM50270449
((2R,3S,4S,5R)-2-((cyclopentylamino)methyl)-5-(hydr...)Show SMILES OC[C@H]1O[C@H](CNC2CCCC2)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C11H21NO4/c13-6-9-11(15)10(14)8(16-9)5-12-7-3-1-2-4-7/h7-15H,1-6H2/t8-,9-,10-,11-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Leishmania mexicana pyruvate kinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
Pyruvate kinase
(Leishmania mexicana) | BDBM50270339
((2R,3S,4S,5R)-2-((cyclobutylamino)methyl)-5-(hydro...)Show SMILES OC[C@H]1O[C@H](CNC2CCC2)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C10H19NO4/c12-5-8-10(14)9(13)7(15-8)4-11-6-2-1-3-6/h6-14H,1-5H2/t7-,8-,9-,10-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh
Curated by ChEMBL
| Assay Description
Inhibition of Leishmania mexicana pyruvate kinase |
Bioorg Med Chem 16: 5050-61 (2008)
Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR |
More data for this
Ligand-Target Pair | |
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