Found 107 hits with Last Name = 'jogalekar' and Initial = 'as' 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 |
|---|
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM527814
((3S,4S)-8-(8-((2- amino-3- chloropyridin-4- yl)thi...)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50347388
(CHEMBL1234833)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclinE assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM527850
((3S,4S)-8-(8-(2,3- dichlorophenyl)-7- methyl- [1,2...)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc(Cl)c3Cl)c3nncn23)[C@@H]1N |r,wD:28.33,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;3.35,-1.77,;2.02,-1,;.68,-1.77,;.68,-3.31,;2.02,-4.08,;-.65,-1,;-.65,.54,;-1.98,1.31,;-1.98,2.85,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-3.32,-1,;-4.46,-2.03,;-3.84,-3.44,;-2.3,-3.28,;-1.98,-1.77,;4.76,-2.68,;5.08,-1.18,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50347389
(CHEMBL1801932)Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclinH/MAT1 assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605733
(US11673901, Compound 4 | US11673901, Example 4)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)c3ncnn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50347388
(CHEMBL1234833)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclinB1 assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM527814
((3S,4S)-8-(8-((2- amino-3- chloropyridin-4- yl)thi...)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605733
(US11673901, Compound 4 | US11673901, Example 4)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)c3ncnn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM527850
((3S,4S)-8-(8-(2,3- dichlorophenyl)-7- methyl- [1,2...)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc(Cl)c3Cl)c3nncn23)[C@@H]1N |r,wD:28.33,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;3.35,-1.77,;2.02,-1,;.68,-1.77,;.68,-3.31,;2.02,-4.08,;-.65,-1,;-.65,.54,;-1.98,1.31,;-1.98,2.85,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-3.32,-1,;-4.46,-2.03,;-3.84,-3.44,;-2.3,-3.28,;-1.98,-1.77,;4.76,-2.68,;5.08,-1.18,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM527761
((3S,4S)-8-(8-(2,3- dichlorophenyl)-7- methylimidaz...)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc(Cl)c3Cl)c3nccn23)[C@@H]1N |r,wD:28.33,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;3.35,-1.77,;2.02,-1,;.68,-1.77,;.68,-3.31,;2.02,-4.08,;-.65,-1,;-.65,.54,;-1.98,1.31,;-1.98,2.85,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-3.32,-1,;-4.46,-2.03,;-3.84,-3.44,;-2.3,-3.28,;-1.98,-1.77,;4.76,-2.68,;5.08,-1.18,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605739
(US11673901, Compound 9)Show SMILES COc1cccc(c1Cl)-c1c(C)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n2ccnc12 |r,wD:22.24,20.21,(-8.65,2.08,;-7.32,1.31,;-5.99,2.08,;-5.99,3.62,;-4.65,4.39,;-3.32,3.62,;-3.32,2.08,;-4.65,1.31,;-4.65,-.23,;-1.98,1.31,;-.65,2.08,;-.65,3.62,;.68,1.31,;.68,-.23,;2.02,-1,;2.02,-2.54,;3.35,-3.31,;4.68,-2.54,;4.84,-4.07,;6.35,-4.39,;7.12,-3.06,;8.65,-2.9,;6.09,-1.91,;6.41,-.41,;4.68,-1,;3.35,-.23,;-.65,-1,;-.97,-2.51,;-2.5,-2.67,;-3.13,-1.26,;-1.98,-.23,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605740
(US11673901, Compound 10)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N4CC(O)C4)c3Cl)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM527838
((3S,4S)-8-(8- ((2,3- dichlorophenyl) thio)imidazo[...)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605742
(US11673901, Compound 12)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N4CC(C4)S(C)(=O)=O)c3Cl)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605743
(US11673901, Compound 13)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N4CC(C4)C#N)c3Cl)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM527913
((3S,4S)-8-(8-((1H- pyrrolo[2,3- b]pyridin-4- yl)th...)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4[nH]ccc34)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605747
(US11673901, Compound 17)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4nc[nH]c34)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605759
(US11673901, Compound 29)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(Sc3ccnc(N)c3Cl)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605760
(US11673901, Compound 30)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4cn[nH]c4c3)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605761
(US11673901, Compound 31)Show SMILES COc1ccc(c(Cl)c1C#N)-c1c(C)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n2ccnc12 |r,wD:24.26,22.23,(-8.65,3.62,;-7.32,4.39,;-5.99,3.62,;-4.65,4.39,;-3.32,3.62,;-3.32,2.08,;-4.65,1.31,;-4.65,-.23,;-5.99,2.08,;-7.32,1.31,;-8.65,.54,;-1.98,1.31,;-.65,2.08,;-.65,3.62,;.68,1.31,;.68,-.23,;2.02,-1,;2.02,-2.54,;3.35,-3.31,;4.68,-2.54,;4.84,-4.07,;6.35,-4.39,;7.12,-3.06,;8.65,-2.9,;6.09,-1.91,;6.41,-.41,;4.68,-1,;3.35,-.23,;-.65,-1,;-.97,-2.51,;-2.5,-2.67,;-3.13,-1.26,;-1.98,-.23,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605762
(US11673901, Compound 32)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc4nc[nH]c34)c3nccn23)[C@@H]1N |r,wU:29.35,1.0,(5.64,-6.63,;5.02,-5.22,;5.79,-3.89,;4.76,-2.75,;3.35,-3.37,;2.02,-4.14,;.68,-3.37,;.68,-1.83,;2.02,-1.06,;3.35,-1.83,;-.65,-1.06,;-.65,.48,;-1.98,1.25,;-1.98,2.79,;-3.32,.48,;-4.65,1.25,;-5.99,.48,;-7.32,1.25,;-7.32,2.79,;-5.99,3.56,;-5.67,5.06,;-4.13,5.22,;-3.51,3.82,;-4.65,2.79,;-3.32,-1.06,;-4.46,-2.09,;-3.84,-3.5,;-2.3,-3.34,;-1.98,-1.83,;3.51,-4.9,;5.08,-1.24,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605763
(US11673901, Compound 33)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4[nH]cnc4c3)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605764
(US11673901, Compound 34)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4n(C)ncc4c3)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605765
(US11673901, Compound 35)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc4cc[nH]c34)c3nccn23)[C@@H]1N |r,wU:29.35,1.0,(5.64,-6.63,;5.02,-5.22,;5.79,-3.89,;4.76,-2.75,;3.35,-3.37,;2.02,-4.14,;.68,-3.37,;.68,-1.83,;2.02,-1.06,;3.35,-1.83,;-.65,-1.06,;-.65,.48,;-1.98,1.25,;-1.98,2.79,;-3.32,.48,;-4.65,1.25,;-5.99,.48,;-7.32,1.25,;-7.32,2.79,;-5.99,3.56,;-5.67,5.06,;-4.13,5.22,;-3.51,3.82,;-4.65,2.79,;-3.32,-1.06,;-4.46,-2.09,;-3.84,-3.5,;-2.3,-3.34,;-1.98,-1.83,;3.51,-4.9,;5.08,-1.24,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605766
(US11673901, Compound 36)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc4cn[nH]c34)c3nccn23)[C@@H]1N |r,wU:29.35,1.0,(5.64,-6.63,;5.02,-5.22,;5.79,-3.89,;4.76,-2.75,;3.35,-3.37,;2.02,-4.14,;.68,-3.37,;.68,-1.83,;2.02,-1.06,;3.35,-1.83,;-.65,-1.06,;-.65,.48,;-1.98,1.25,;-1.98,2.79,;-3.32,.48,;-4.65,1.25,;-5.99,.48,;-7.32,1.25,;-7.32,2.79,;-5.99,3.56,;-5.67,5.06,;-4.13,5.22,;-3.51,3.82,;-4.65,2.79,;-3.32,-1.06,;-4.46,-2.09,;-3.84,-3.5,;-2.3,-3.34,;-1.98,-1.83,;3.51,-4.9,;5.08,-1.24,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605767
(US11673901, Compound 37)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cc(Cl)c4cn[nH]c4c3)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605768
(US11673901, Compound 38)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cc4[nH]ncc4cc3Cl)c3nccn23)[C@@H]1N |r,wD:30.36,1.0,(8.5,-2.9,;6.97,-3.06,;6.2,-4.39,;4.7,-4.07,;4.54,-2.54,;3.2,-3.31,;1.87,-2.54,;1.87,-1,;3.2,-.23,;4.54,-1,;.53,-.23,;.53,1.31,;-.8,2.08,;-.8,3.62,;-2.13,1.31,;-3.47,2.08,;-4.8,1.31,;-6.13,2.08,;-7.6,1.6,;-8.5,2.85,;-7.6,4.1,;-6.13,3.62,;-4.8,4.39,;-3.47,3.62,;-2.13,4.39,;-2.13,-.23,;-3.28,-1.26,;-2.65,-2.67,;-1.12,-2.51,;-.8,-1,;5.94,-1.91,;6.26,-.41,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605769
(US11673901, Compound 39)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4[nH]ncc4c3)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605770
(US11673901, Compound 40)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cc4ccccc4n3C)c3nccn23)[C@@H]1N |r,wU:30.36,1.0,(6.68,-6.24,;6.06,-4.83,;6.83,-3.49,;5.8,-2.35,;4.39,-2.98,;3.06,-3.75,;1.72,-2.98,;1.72,-1.44,;3.06,-.67,;4.39,-1.44,;.39,-.67,;.39,.87,;-.94,1.64,;-.94,3.18,;-2.28,.87,;-3.61,1.64,;-5.02,1.02,;-6.05,2.16,;-7.59,2.16,;-8.36,3.49,;-7.59,4.83,;-6.05,4.83,;-5.28,3.49,;-3.73,3.2,;-2.59,4.23,;-2.28,-.67,;-3.42,-1.7,;-2.8,-3.1,;-1.26,-2.94,;-.94,-1.44,;4.55,-4.51,;6.12,-.84,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605771
(US11673901, Compound 41)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4nccnc4c3Cl)c3nccn23)[C@@H]1N |r,wU:31.37,1.0,(6.98,-5.8,;6.35,-4.39,;7.12,-3.06,;6.09,-1.91,;4.68,-2.54,;3.35,-3.31,;2.02,-2.54,;2.02,-1,;3.35,-.23,;4.68,-1,;.68,-.23,;.68,1.31,;-.65,2.08,;-.65,3.62,;-1.98,1.31,;-3.32,2.08,;-3.32,3.62,;-4.65,4.39,;-5.99,3.62,;-7.32,4.39,;-8.65,3.62,;-8.65,2.08,;-7.32,1.31,;-5.99,2.08,;-4.65,1.31,;-4.65,-.23,;-1.98,-.23,;-3.13,-1.26,;-2.5,-2.67,;-.97,-2.51,;-.65,-1,;4.85,-4.07,;6.41,-.41,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605772
(US11673901, Compound 42)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4nccnc4c3)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605773
(US11673901, Compound 43)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4CCCOc4c3Cl)c3nccn23)[C@@H]1N |r,wU:31.37,1.0,(6.98,-5.8,;6.35,-4.39,;7.12,-3.06,;6.09,-1.91,;4.68,-2.54,;3.35,-3.31,;2.02,-2.54,;2.02,-1,;3.35,-.23,;4.68,-1,;.68,-.23,;.68,1.31,;-.65,2.08,;-.65,3.62,;-1.98,1.31,;-3.32,2.08,;-3.32,3.62,;-4.65,4.39,;-5.99,3.62,;-7.32,4.39,;-8.65,3.62,;-8.65,2.08,;-7.32,1.31,;-5.99,2.08,;-4.65,1.31,;-4.65,-.23,;-1.98,-.23,;-3.13,-1.26,;-2.5,-2.67,;-.97,-2.51,;-.65,-1,;4.85,-4.07,;6.41,-.41,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605774
(US11673901, Compound 44)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4CCOc4c3Cl)c3nccn23)[C@@H]1N |r,wU:30.36,1.0,(6.83,-5.8,;6.2,-4.39,;6.97,-3.06,;5.94,-1.91,;4.54,-2.54,;3.2,-3.31,;1.87,-2.54,;1.87,-1,;3.2,-.23,;4.54,-1,;.53,-.23,;.53,1.31,;-.8,2.08,;-.8,3.62,;-2.13,1.31,;-3.47,2.08,;-3.47,3.62,;-4.8,4.39,;-6.13,3.62,;-7.6,4.1,;-8.5,2.85,;-7.6,1.6,;-6.13,2.08,;-4.8,1.31,;-4.8,-.23,;-2.13,-.23,;-3.28,-1.26,;-2.65,-2.67,;-1.12,-2.51,;-.8,-1,;4.7,-4.07,;6.26,-.41,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605775
(US11673901, Compound 45)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc(C#N)c3Cl)c3nccn23)[C@@H]1N |r,wU:29.34,1.0,(6.98,-5.8,;6.35,-4.39,;7.12,-3.06,;6.09,-1.91,;4.68,-2.54,;3.35,-3.31,;2.02,-2.54,;2.02,-1,;3.35,-.23,;4.68,-1,;.68,-.23,;.68,1.31,;-.65,2.08,;-.65,3.62,;-1.98,1.31,;-3.32,2.08,;-3.32,3.62,;-4.65,4.39,;-5.99,3.62,;-5.99,2.08,;-7.32,1.31,;-8.65,.55,;-4.65,1.31,;-4.65,-.23,;-1.98,-.23,;-3.13,-1.26,;-2.5,-2.67,;-.97,-2.51,;-.65,-1,;4.84,-4.07,;6.41,-.41,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605776
(US11673901, Compound 46)Show SMILES COc1c(Cl)c(ccc1C#N)-c1c(C)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n2ccnc12 |r,wU:24.26,22.23,(-8.65,1.7,;-7.32,.93,;-5.99,1.7,;-4.65,.93,;-4.65,-.61,;-3.32,1.7,;-3.32,3.24,;-4.65,4.01,;-5.99,3.24,;-7.32,4.01,;-8.65,4.78,;-1.98,.93,;-.65,1.7,;-.65,3.24,;.68,.93,;.68,-.61,;2.02,-1.38,;2.02,-2.92,;3.35,-3.69,;4.68,-2.92,;6.09,-2.3,;7.12,-3.44,;6.35,-4.78,;6.98,-6.18,;4.85,-4.46,;6.41,-.79,;4.68,-1.38,;3.35,-.61,;-.65,-1.38,;-.97,-2.89,;-2.5,-3.05,;-3.13,-1.64,;-1.98,-.61,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605777
(US11673901, Compound 47)Show SMILES COc1nccc(c1Cl)-c1c(C)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n2ccnc12 |r,wD:22.24,20.21,(-8.65,2.08,;-7.32,1.31,;-5.99,2.08,;-5.99,3.62,;-4.65,4.39,;-3.32,3.62,;-3.32,2.08,;-4.65,1.31,;-4.65,-.23,;-1.98,1.31,;-.65,2.08,;-.65,3.62,;.68,1.31,;.68,-.23,;2.02,-1,;2.02,-2.54,;3.35,-3.31,;4.68,-2.54,;4.84,-4.07,;6.35,-4.39,;7.12,-3.06,;8.65,-2.9,;6.09,-1.91,;6.41,-.41,;4.68,-1,;3.35,-.23,;-.65,-1,;-.97,-2.51,;-2.5,-2.67,;-3.13,-1.26,;-1.98,-.23,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605778
(US11673901, Compound 48)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc4ccnn4c3)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605779
(US11673901, Compound 49)Show SMILES COc1cc(Cl)c(Cl)c(c1)-c1c(C)nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n2ccnc12 |r,wD:23.25,21.22,(-6.65,5.55,;-5.32,4.78,;-5.32,3.24,;-6.65,2.47,;-6.65,.93,;-7.99,.16,;-5.32,.16,;-5.32,-1.38,;-3.98,.93,;-3.98,2.47,;-2.65,.16,;-1.32,.93,;-1.32,2.47,;.02,.16,;.02,-1.38,;1.35,-2.15,;1.35,-3.69,;2.68,-4.46,;4.02,-3.69,;4.18,-5.23,;5.68,-5.55,;6.45,-4.21,;7.99,-4.05,;5.42,-3.07,;5.74,-1.56,;4.02,-2.15,;2.68,-1.38,;-1.32,-2.15,;-1.64,-3.66,;-3.17,-3.82,;-3.8,-2.41,;-2.65,-1.38,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605780
(US11673901, Compound 50)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc4c(Cl)c[nH]c34)c3nccn23)[C@@H]1N |r,wU:30.36,1.0,(6.97,-5.8,;6.34,-4.39,;7.11,-3.06,;6.08,-1.91,;4.68,-2.54,;3.34,-3.31,;2.01,-2.54,;2.01,-1,;3.34,-.23,;4.68,-1,;.67,-.23,;.67,1.31,;-.66,2.08,;-.66,3.62,;-1.99,1.31,;-3.33,2.08,;-3.33,3.62,;-4.66,4.39,;-5.99,3.62,;-5.99,2.08,;-7.14,1.05,;-8.64,1.37,;-6.51,-.36,;-4.98,-.2,;-4.66,1.31,;-1.99,-.23,;-3.14,-1.26,;-2.51,-2.67,;-.98,-2.51,;-.66,-1,;4.84,-4.07,;6.4,-.41,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605782
(US11673901, Compound 52)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cc(Cl)cc4cc[nH]c34)c3nccn23)[C@@H]1N |r,wU:30.36,1.0,(6.31,-6.63,;5.68,-5.22,;6.45,-3.89,;5.42,-2.75,;4.02,-3.37,;2.68,-4.14,;1.35,-3.37,;1.35,-1.83,;2.68,-1.06,;4.02,-1.83,;.02,-1.06,;.02,.48,;-1.32,1.25,;-1.32,2.79,;-2.65,.48,;-3.98,1.25,;-5.32,.48,;-6.65,1.25,;-7.99,.48,;-6.65,2.79,;-5.32,3.56,;-5,5.06,;-3.47,5.22,;-2.84,3.82,;-3.98,2.79,;-2.65,-1.06,;-3.8,-2.09,;-3.17,-3.5,;-1.64,-3.34,;-1.32,-1.83,;4.18,-4.9,;5.74,-1.24,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605783
(US11673901, Compound 53)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccnc4cc[nH]c34)c3nccn23)[C@@H]1N |r,wU:29.35,1.0,(5.64,-6.63,;5.02,-5.22,;5.79,-3.89,;4.76,-2.75,;3.35,-3.37,;2.02,-4.14,;.68,-3.37,;.68,-1.83,;2.02,-1.06,;3.35,-1.83,;-.65,-1.06,;-.65,.48,;-1.98,1.25,;-1.98,2.79,;-3.32,.48,;-4.65,1.25,;-5.99,.48,;-7.32,1.25,;-7.32,2.79,;-5.99,3.56,;-5.67,5.06,;-4.13,5.22,;-3.51,3.82,;-4.65,2.79,;-3.32,-1.06,;-4.46,-2.09,;-3.84,-3.5,;-2.3,-3.34,;-1.98,-1.83,;3.51,-4.9,;5.08,-1.24,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605784
(US11673901, Compound 54)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3ccc(O)c(Cl)c3Cl)c3nccn23)[C@@H]1N |r,wD:29.34,1.0,(7.99,-2.9,;6.45,-3.06,;5.68,-4.39,;4.18,-4.07,;4.02,-2.54,;2.68,-3.31,;1.35,-2.54,;1.35,-1,;2.68,-.23,;4.02,-1,;.02,-.23,;.02,1.31,;-1.32,2.08,;-1.32,3.62,;-2.65,1.31,;-3.98,2.08,;-3.98,3.62,;-5.32,4.39,;-6.65,3.62,;-7.99,4.39,;-6.65,2.08,;-7.99,1.31,;-5.32,1.31,;-5.32,-.23,;-2.65,-.23,;-3.8,-1.26,;-3.17,-2.67,;-1.64,-2.51,;-1.32,-1,;5.42,-1.91,;5.74,-.41,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605785
(US11673901, Compound 55)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc4c(F)c[nH]c34)c3nccn23)[C@@H]1N |r,wU:30.36,1.0,(6.97,-5.8,;6.34,-4.39,;7.11,-3.06,;6.08,-1.91,;4.68,-2.54,;3.34,-3.31,;2.01,-2.54,;2.01,-1,;3.34,-.23,;4.68,-1,;.67,-.23,;.67,1.31,;-.66,2.08,;-.66,3.62,;-1.99,1.31,;-3.33,2.08,;-3.33,3.62,;-4.66,4.39,;-5.99,3.62,;-5.99,2.08,;-7.14,1.05,;-8.64,1.37,;-6.51,-.36,;-4.98,-.2,;-4.66,1.31,;-1.99,-.23,;-3.14,-1.26,;-2.51,-2.67,;-.98,-2.51,;-.66,-1,;4.84,-4.07,;6.4,-.41,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605786
(US11673901, Compound 56)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(-c3cccc(Cl)c3Cl)c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605791
(US11673901, Compound 61)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(Sc3ccnc(N)c3Cl)c3nncn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605792
(US11673901, Compound 62)Show SMILES Cc1nc(N2CCC3(CC(C[C@H]3N)N3CC(C3)C#N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl |r,wD:11.12,(-2.22,5.96,;-2.22,4.42,;-.88,3.65,;-.88,2.11,;.45,1.34,;.45,-.2,;1.78,-.97,;3.12,-.2,;3.28,-1.74,;4.79,-2.06,;5.56,-.72,;4.53,.42,;4.85,1.93,;5.41,-3.46,;4.86,-4.9,;6.31,-5.47,;6.85,-4.01,;6.93,-6.88,;7.56,-8.29,;3.12,1.34,;1.78,2.11,;-2.22,1.34,;-2.54,-.17,;-4.07,-.33,;-4.69,1.08,;-3.55,2.11,;-3.55,3.65,;-4.88,4.42,;-6.22,3.65,;-7.55,4.42,;-7.55,5.96,;-6.22,6.73,;-6.22,8.27,;-4.88,5.96,;-3.55,6.73,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605793
(US11673901, Compound 63)Show SMILES CNC(=O)O[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc(C)c(-c2cccc(Cl)c2Cl)c2nccn12 |r,wD:7.7,5.4,(5.23,-7.81,;6.13,-6.57,;5.5,-5.16,;3.97,-5,;6.41,-3.91,;5.78,-2.51,;6.55,-1.17,;5.52,-.03,;5.84,1.48,;4.12,-.66,;4.28,-2.19,;2.78,-1.43,;1.45,-.66,;1.45,.88,;2.78,1.65,;4.12,.88,;.11,1.65,;.11,3.19,;-1.22,3.96,;-1.22,5.5,;-2.55,3.19,;-3.89,3.96,;-5.22,3.19,;-6.55,3.96,;-6.55,5.5,;-5.22,6.27,;-5.22,7.81,;-3.89,5.5,;-2.55,6.27,;-2.55,1.65,;-3.7,.62,;-3.07,-.78,;-1.54,-.62,;-1.22,.88,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605794
(US11673901, Compound 64)Show SMILES COc1cccc(c1Cl)-c1c(C)nc(N2CCC3(C[C@H](C[C@H]3N)OC3COC3)CC2)n2ccnc12 |r,wD:21.23,19.24,(-9.66,3.48,;-8.33,2.71,;-6.99,3.48,;-6.99,5.02,;-5.66,5.79,;-4.33,5.02,;-4.33,3.48,;-5.66,2.71,;-5.66,1.17,;-2.99,2.71,;-1.66,3.48,;-1.66,5.02,;-.32,2.71,;-.32,1.17,;1.01,.4,;1.01,-1.14,;2.34,-1.91,;3.68,-1.14,;3.84,-2.67,;5.34,-2.99,;6.11,-1.66,;5.08,-.52,;5.4,.99,;5.97,-4.4,;7.5,-4.56,;8.44,-5.79,;9.66,-4.85,;8.73,-3.63,;3.68,.4,;2.34,1.17,;-1.66,.4,;-1.98,-1.11,;-3.51,-1.27,;-4.14,.14,;-2.99,1.17,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM605813
(US11673901, Compound 83)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3c3nccn23)[C@@H]1N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CRG |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50347388
(CHEMBL1234833)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
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PDB
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Patents
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| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK9/cyclinT assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
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