Found 322 hits with Last Name = 'berka' and Initial = 'k' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453198
(CHEMBL4212560)Show SMILES NCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 Show InChI InChI=1S/C25H36N8O/c26-11-3-4-12-27-25-30-23(22-24(31-25)33(18-28-22)21-5-1-2-6-21)29-20-9-7-19(8-10-20)17-32-13-15-34-16-14-32/h7-10,18,21H,1-6,11-17,26H2,(H2,27,29,30,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453202
(CHEMBL4207317)Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(NCCCCN)nc3n(cnc23)C2CCCC2)cc1 Show InChI InChI=1S/C26H39N9/c1-2-33-15-17-34(18-16-33)21-11-9-20(10-12-21)30-24-23-25(32-26(31-24)28-14-6-5-13-27)35(19-29-23)22-7-3-4-8-22/h9-12,19,22H,2-8,13-18,27H2,1H3,(H2,28,30,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453197
(CHEMBL4208701)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(26.32,-12.53,;24.78,-12.53,;24.01,-11.19,;22.47,-11.19,;21.7,-12.53,;22.47,-13.86,;24.01,-13.86,;20.16,-12.53,;19.39,-13.86,;20.16,-15.19,;19.39,-16.53,;20.16,-17.86,;21.7,-17.86,;22.47,-16.53,;24.01,-16.53,;24.78,-17.86,;24.01,-19.19,;22.47,-19.19,;26.32,-17.86,;27.09,-16.53,;28.63,-16.53,;29.4,-17.86,;28.63,-19.19,;27.09,-19.19,;17.85,-16.53,;16.82,-17.67,;15.41,-17.05,;15.58,-15.51,;14.43,-14.48,;12.93,-14.8,;12.16,-13.47,;13.19,-12.33,;14.59,-12.95,;17.08,-15.19,;17.85,-13.86,)| Show InChI InChI=1S/C26H36N8O/c27-18-5-7-20(8-6-18)30-26-31-24(23-25(32-26)34(17-28-23)22-3-1-2-4-22)29-19-9-11-21(12-10-19)33-13-15-35-16-14-33/h9-12,17-18,20,22H,1-8,13-16,27H2,(H2,29,30,31,32)/t18-,20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453185
(CHEMBL4203825)Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:17.17,wD:20.21,(51.74,-32.62,;50.97,-31.28,;49.43,-31.28,;48.66,-29.95,;47.12,-29.95,;46.35,-31.28,;47.12,-32.62,;48.66,-32.62,;44.81,-31.28,;44.04,-32.62,;42.5,-32.62,;41.73,-31.28,;40.19,-31.28,;39.42,-29.95,;40.19,-28.62,;39.42,-27.29,;40.19,-25.95,;41.73,-25.95,;42.5,-24.62,;44.04,-24.62,;44.81,-25.95,;46.35,-25.95,;44.04,-27.29,;42.5,-27.29,;37.88,-27.29,;37.11,-28.62,;35.6,-28.94,;35.44,-30.47,;36.85,-31.09,;37.88,-29.95,;34.46,-27.9,;32.95,-28.23,;32.18,-26.89,;33.22,-25.75,;34.62,-26.37,;42.5,-29.95,;44.04,-29.95,)| Show InChI InChI=1S/C28H41N9/c1-2-35-15-17-36(18-16-35)23-13-11-21(12-14-23)31-26-25-27(37(19-30-25)24-5-3-4-6-24)34-28(33-26)32-22-9-7-20(29)8-10-22/h11-14,19-20,22,24H,2-10,15-18,29H2,1H3,(H2,31,32,33,34)/t20-,22- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453194
(CHEMBL4204373)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(23.34,-10.58,;22.01,-11.35,;20.68,-10.58,;19.34,-11.35,;19.34,-12.89,;20.68,-13.66,;22.01,-12.89,;18.01,-13.66,;18.01,-15.2,;19.34,-15.97,;19.34,-17.51,;20.68,-18.28,;22.01,-17.51,;22.01,-15.97,;23.34,-15.2,;24.68,-15.97,;26.01,-15.2,;27.34,-15.97,;28.68,-15.2,;30.01,-15.97,;30.01,-17.51,;28.68,-18.28,;27.34,-17.51,;24.68,-17.51,;23.34,-18.28,;18.01,-18.28,;17.69,-19.79,;16.16,-19.95,;15.53,-18.54,;14.02,-18.22,;12.88,-19.25,;11.55,-18.48,;11.87,-16.98,;13.4,-16.82,;16.67,-17.51,;16.67,-15.97,)| Show InChI InChI=1S/C27H38N8O/c28-20-7-11-22(12-8-20)31-27-32-25(24-26(33-27)35(18-29-24)23-3-1-2-4-23)30-21-9-5-19(6-10-21)17-34-13-15-36-16-14-34/h5-6,9-10,18,20,22-23H,1-4,7-8,11-17,28H2,(H2,30,31,32,33)/t20-,22- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453202
(CHEMBL4207317)Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(NCCCCN)nc3n(cnc23)C2CCCC2)cc1 Show InChI InChI=1S/C26H39N9/c1-2-33-15-17-34(18-16-33)21-11-9-20(10-12-21)30-24-23-25(32-26(31-24)28-14-6-5-13-27)35(19-29-23)22-7-3-4-8-22/h9-12,19,22H,2-8,13-18,27H2,1H3,(H2,28,30,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453185
(CHEMBL4203825)Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:17.17,wD:20.21,(51.74,-32.62,;50.97,-31.28,;49.43,-31.28,;48.66,-29.95,;47.12,-29.95,;46.35,-31.28,;47.12,-32.62,;48.66,-32.62,;44.81,-31.28,;44.04,-32.62,;42.5,-32.62,;41.73,-31.28,;40.19,-31.28,;39.42,-29.95,;40.19,-28.62,;39.42,-27.29,;40.19,-25.95,;41.73,-25.95,;42.5,-24.62,;44.04,-24.62,;44.81,-25.95,;46.35,-25.95,;44.04,-27.29,;42.5,-27.29,;37.88,-27.29,;37.11,-28.62,;35.6,-28.94,;35.44,-30.47,;36.85,-31.09,;37.88,-29.95,;34.46,-27.9,;32.95,-28.23,;32.18,-26.89,;33.22,-25.75,;34.62,-26.37,;42.5,-29.95,;44.04,-29.95,)| Show InChI InChI=1S/C28H41N9/c1-2-35-15-17-36(18-16-35)23-13-11-21(12-14-23)31-26-25-27(37(19-30-25)24-5-3-4-6-24)34-28(33-26)32-22-9-7-20(29)8-10-22/h11-14,19-20,22,24H,2-10,15-18,29H2,1H3,(H2,31,32,33,34)/t20-,22- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453200
(CHEMBL4210745)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCCC2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(26.86,-12.53,;25.32,-12.53,;24.55,-11.19,;23.01,-11.19,;22.24,-12.53,;23.01,-13.86,;24.55,-13.86,;20.7,-12.53,;19.93,-13.86,;20.7,-15.19,;19.93,-16.53,;20.7,-17.86,;22.24,-17.86,;23.01,-16.53,;24.55,-16.53,;25.32,-17.86,;24.55,-19.19,;23.01,-19.19,;26.86,-17.86,;27.76,-16.62,;29.23,-17.09,;29.23,-18.63,;27.76,-19.11,;18.39,-16.53,;17.36,-17.67,;15.95,-17.05,;16.11,-15.51,;14.97,-14.48,;13.46,-14.8,;12.69,-13.47,;13.72,-12.33,;15.13,-12.95,;17.62,-15.19,;18.39,-13.86,)| Show InChI InChI=1S/C26H36N8/c27-18-7-9-20(10-8-18)30-26-31-24(23-25(32-26)34(17-28-23)22-5-1-2-6-22)29-19-11-13-21(14-12-19)33-15-3-4-16-33/h11-14,17-18,20,22H,1-10,15-16,27H2,(H2,29,30,31,32)/t18-,20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453192
(CHEMBL4216043)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CC3(COC3)C2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(16.44,-9.37,;17.21,-10.71,;16.44,-12.04,;17.21,-13.38,;18.75,-13.38,;19.52,-12.04,;18.75,-10.71,;19.52,-14.71,;18.75,-16.04,;19.52,-17.38,;18.75,-18.71,;19.52,-20.04,;21.06,-20.04,;21.83,-18.71,;23.37,-18.71,;24.14,-20.04,;23.37,-21.38,;21.83,-21.38,;25.68,-20.04,;26.77,-21.13,;27.86,-20.04,;28.95,-18.96,;30.04,-20.04,;28.95,-21.13,;26.77,-18.96,;17.21,-18.71,;16.18,-19.85,;14.78,-19.23,;14.94,-17.7,;13.79,-16.67,;12.29,-16.99,;11.52,-15.65,;12.55,-14.51,;13.95,-15.13,;16.44,-17.38,;17.21,-16.04,)| Show InChI InChI=1S/C27H36N8O/c28-18-5-7-20(8-6-18)31-26-32-24(23-25(33-26)35(17-29-23)22-3-1-2-4-22)30-19-9-11-21(12-10-19)34-13-27(14-34)15-36-16-27/h9-12,17-18,20,22H,1-8,13-16,28H2,(H2,30,31,32,33)/t18-,20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453195
(CHEMBL4202430)Show SMILES NCCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1 Show InChI InChI=1S/C24H34N8O/c25-11-3-4-12-26-24-29-22(21-23(30-24)32(17-27-21)20-5-1-2-6-20)28-18-7-9-19(10-8-18)31-13-15-33-16-14-31/h7-10,17,20H,1-6,11-16,25H2,(H2,26,28,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453234
(CHEMBL4213717)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(nc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(26.32,-12.34,;24.78,-12.34,;24.01,-11,;22.47,-11,;21.7,-12.34,;22.47,-13.67,;24.01,-13.67,;20.16,-12.34,;19.39,-13.67,;20.16,-15,;19.39,-16.34,;20.16,-17.67,;21.7,-17.67,;22.47,-16.34,;24.01,-16.34,;24.78,-17.67,;24.01,-19,;22.47,-19,;26.32,-17.67,;27.09,-16.34,;28.63,-16.34,;29.4,-17.67,;28.63,-19,;27.09,-19,;17.85,-16.34,;16.82,-17.48,;15.41,-16.85,;15.58,-15.32,;14.43,-14.29,;12.93,-14.61,;12.16,-13.28,;13.19,-12.13,;14.59,-12.76,;17.08,-15,;17.85,-13.67,)| Show InChI InChI=1S/C25H35N9O/c26-17-5-7-18(8-6-17)30-25-31-23(22-24(32-25)34(16-28-22)20-3-1-2-4-20)29-19-9-10-21(27-15-19)33-11-13-35-14-12-33/h9-10,15-18,20H,1-8,11-14,26H2,(H2,29,30,31,32)/t17-,18- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453196
(CHEMBL4216401)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Br)cc2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(13.6,-16.81,;15.14,-16.81,;15.91,-18.14,;17.45,-18.14,;18.22,-16.81,;17.45,-15.47,;15.91,-15.47,;19.76,-16.81,;20.53,-15.47,;19.76,-14.14,;20.53,-12.8,;19.76,-11.47,;18.22,-11.47,;17.45,-12.8,;15.91,-12.8,;15.14,-11.47,;13.6,-11.47,;15.91,-10.14,;17.45,-10.14,;22.07,-12.8,;23.1,-11.66,;24.51,-12.29,;24.35,-13.82,;25.49,-14.85,;27,-14.53,;27.77,-15.86,;26.74,-17.01,;25.33,-16.38,;22.84,-14.14,;22.07,-15.47,)| Show InChI InChI=1S/C22H28BrN7/c23-14-5-9-16(10-6-14)26-20-19-21(30(13-25-19)18-3-1-2-4-18)29-22(28-20)27-17-11-7-15(24)8-12-17/h5-6,9-10,13,15,17-18H,1-4,7-8,11-12,24H2,(H2,26,27,28,29)/t15-,17- | PDB
NCI pathway
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KEGG
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| Article
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453196
(CHEMBL4216401)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Br)cc2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(13.6,-16.81,;15.14,-16.81,;15.91,-18.14,;17.45,-18.14,;18.22,-16.81,;17.45,-15.47,;15.91,-15.47,;19.76,-16.81,;20.53,-15.47,;19.76,-14.14,;20.53,-12.8,;19.76,-11.47,;18.22,-11.47,;17.45,-12.8,;15.91,-12.8,;15.14,-11.47,;13.6,-11.47,;15.91,-10.14,;17.45,-10.14,;22.07,-12.8,;23.1,-11.66,;24.51,-12.29,;24.35,-13.82,;25.49,-14.85,;27,-14.53,;27.77,-15.86,;26.74,-17.01,;25.33,-16.38,;22.84,-14.14,;22.07,-15.47,)| Show InChI InChI=1S/C22H28BrN7/c23-14-5-9-16(10-6-14)26-20-19-21(30(13-25-19)18-3-1-2-4-18)29-22(28-20)27-17-11-7-15(24)8-12-17/h5-6,9-10,13,15,17-18H,1-4,7-8,11-12,24H2,(H2,26,27,28,29)/t15-,17- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50110183
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
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MCE
PC cid
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PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453198
(CHEMBL4212560)Show SMILES NCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 Show InChI InChI=1S/C25H36N8O/c26-11-3-4-12-27-25-30-23(22-24(31-25)33(18-28-22)21-5-1-2-6-21)29-20-9-7-19(8-10-20)17-32-13-15-34-16-14-32/h7-10,18,21H,1-6,11-17,26H2,(H2,27,29,30,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453235
(CHEMBL4207535)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Cl)cc2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(7.16,-31.99,;8.7,-31.99,;9.47,-33.32,;11.01,-33.32,;11.78,-31.99,;11.01,-30.66,;9.47,-30.66,;13.32,-31.99,;14.09,-30.66,;13.32,-29.32,;14.09,-27.99,;13.32,-26.65,;11.78,-26.65,;11.01,-27.99,;9.47,-27.99,;8.7,-26.65,;7.16,-26.65,;9.47,-25.32,;11.01,-25.32,;15.63,-27.99,;16.66,-26.84,;18.07,-27.47,;17.91,-29,;19.05,-30.03,;20.56,-29.71,;21.33,-31.05,;20.3,-32.19,;18.89,-31.56,;16.4,-29.32,;15.63,-30.66,)| Show InChI InChI=1S/C22H28ClN7/c23-14-5-9-16(10-6-14)26-20-19-21(30(13-25-19)18-3-1-2-4-18)29-22(28-20)27-17-11-7-15(24)8-12-17/h5-6,9-10,13,15,17-18H,1-4,7-8,11-12,24H2,(H2,26,27,28,29)/t15-,17- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453193
(CHEMBL4213103)Show SMILES NCCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 Show InChI InChI=1S/C26H38N8O/c27-12-4-1-5-13-28-26-31-24(23-25(32-26)34(19-29-23)22-6-2-3-7-22)30-21-10-8-20(9-11-21)18-33-14-16-35-17-15-33/h8-11,19,22H,1-7,12-18,27H2,(H2,28,30,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM7649
(2,4-bisanilinopyrimidine deriv. 9 | 4-({4-[(2-fluo...)Show SMILES Cc1ccc(F)c(Nc2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c1 Show InChI InChI=1S/C17H16FN5O2S/c1-11-2-7-14(18)15(10-11)22-16-8-9-20-17(23-16)21-12-3-5-13(6-4-12)26(19,24)25/h2-10H,1H3,(H2,19,24,25)(H2,20,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453198
(CHEMBL4212560)Show SMILES NCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 Show InChI InChI=1S/C25H36N8O/c26-11-3-4-12-27-25-30-23(22-24(31-25)33(18-28-22)21-5-1-2-6-21)29-20-9-7-19(8-10-20)17-32-13-15-34-16-14-32/h7-10,18,21H,1-6,11-17,26H2,(H2,27,29,30,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Ly... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453230
(CHEMBL4217517)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(20.4,-19.7,;21.73,-18.93,;23.06,-19.7,;24.4,-18.93,;24.4,-17.39,;23.06,-16.62,;21.73,-17.39,;25.73,-16.62,;25.73,-15.08,;24.4,-14.31,;24.4,-12.77,;23.06,-12,;21.73,-12.77,;21.73,-14.31,;20.4,-15.08,;19.06,-14.31,;19.06,-12.77,;20.4,-12,;17.73,-15.08,;17.73,-16.62,;16.39,-17.39,;15.06,-16.62,;13.73,-17.39,;12.39,-16.62,;11.06,-17.39,;9.73,-16.62,;9.73,-15.08,;11.06,-14.31,;12.39,-15.08,;15.06,-15.08,;16.39,-14.31,;25.73,-12,;26.05,-10.49,;27.58,-10.33,;28.21,-11.74,;29.71,-12.06,;30.86,-11.03,;32.19,-11.8,;31.87,-13.3,;30.34,-13.46,;27.06,-12.77,;27.06,-14.31,)| Show InChI InChI=1S/C33H43N9/c34-25-10-12-27(13-11-25)37-33-38-31(30-32(39-33)42(23-35-30)29-8-4-5-9-29)36-26-14-16-28(17-15-26)41-20-18-40(19-21-41)22-24-6-2-1-3-7-24/h1-3,6-7,14-17,23,25,27,29H,4-5,8-13,18-22,34H2,(H2,36,37,38,39)/t25-,27- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453197
(CHEMBL4208701)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(26.32,-12.53,;24.78,-12.53,;24.01,-11.19,;22.47,-11.19,;21.7,-12.53,;22.47,-13.86,;24.01,-13.86,;20.16,-12.53,;19.39,-13.86,;20.16,-15.19,;19.39,-16.53,;20.16,-17.86,;21.7,-17.86,;22.47,-16.53,;24.01,-16.53,;24.78,-17.86,;24.01,-19.19,;22.47,-19.19,;26.32,-17.86,;27.09,-16.53,;28.63,-16.53,;29.4,-17.86,;28.63,-19.19,;27.09,-19.19,;17.85,-16.53,;16.82,-17.67,;15.41,-17.05,;15.58,-15.51,;14.43,-14.48,;12.93,-14.8,;12.16,-13.47,;13.19,-12.33,;14.59,-12.95,;17.08,-15.19,;17.85,-13.86,)| Show InChI InChI=1S/C26H36N8O/c27-18-5-7-20(8-6-18)30-26-31-24(23-25(32-26)34(17-28-23)22-3-1-2-4-22)29-19-9-11-21(12-10-19)33-13-15-35-16-14-33/h9-12,17-18,20,22H,1-8,13-16,27H2,(H2,29,30,31,32)/t18-,20- | PDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
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MCE
PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453195
(CHEMBL4202430)Show SMILES NCCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1 Show InChI InChI=1S/C24H34N8O/c25-11-3-4-12-26-24-29-22(21-23(30-24)32(17-27-21)20-5-1-2-6-20)28-18-7-9-19(10-8-18)31-13-15-33-16-14-31/h7-10,17,20H,1-6,11-16,25H2,(H2,26,28,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453194
(CHEMBL4204373)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(23.34,-10.58,;22.01,-11.35,;20.68,-10.58,;19.34,-11.35,;19.34,-12.89,;20.68,-13.66,;22.01,-12.89,;18.01,-13.66,;18.01,-15.2,;19.34,-15.97,;19.34,-17.51,;20.68,-18.28,;22.01,-17.51,;22.01,-15.97,;23.34,-15.2,;24.68,-15.97,;26.01,-15.2,;27.34,-15.97,;28.68,-15.2,;30.01,-15.97,;30.01,-17.51,;28.68,-18.28,;27.34,-17.51,;24.68,-17.51,;23.34,-18.28,;18.01,-18.28,;17.69,-19.79,;16.16,-19.95,;15.53,-18.54,;14.02,-18.22,;12.88,-19.25,;11.55,-18.48,;11.87,-16.98,;13.4,-16.82,;16.67,-17.51,;16.67,-15.97,)| Show InChI InChI=1S/C27H38N8O/c28-20-7-11-22(12-8-20)31-27-32-25(24-26(33-27)35(18-29-24)23-3-1-2-4-23)30-21-9-5-19(6-10-21)17-34-13-15-36-16-14-34/h5-6,9-10,18,20,22-23H,1-4,7-8,11-17,28H2,(H2,30,31,32,33)/t20-,22- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50146924
(CHEMBL3765826)Show SMILES Oc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)NNC(=O)c4ccccc4O)c3C(=O)c12 Show InChI InChI=1S/C24H17N5O5/c30-13-10-8-12(9-11-13)20-19-21(27-26-20)15-5-3-6-16(18(15)22(19)32)25-24(34)29-28-23(33)14-4-1-2-7-17(14)31/h1-11,30-31H,(H,26,27)(H,28,33)(H2,25,29,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453185
(CHEMBL4203825)Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:17.17,wD:20.21,(51.74,-32.62,;50.97,-31.28,;49.43,-31.28,;48.66,-29.95,;47.12,-29.95,;46.35,-31.28,;47.12,-32.62,;48.66,-32.62,;44.81,-31.28,;44.04,-32.62,;42.5,-32.62,;41.73,-31.28,;40.19,-31.28,;39.42,-29.95,;40.19,-28.62,;39.42,-27.29,;40.19,-25.95,;41.73,-25.95,;42.5,-24.62,;44.04,-24.62,;44.81,-25.95,;46.35,-25.95,;44.04,-27.29,;42.5,-27.29,;37.88,-27.29,;37.11,-28.62,;35.6,-28.94,;35.44,-30.47,;36.85,-31.09,;37.88,-29.95,;34.46,-27.9,;32.95,-28.23,;32.18,-26.89,;33.22,-25.75,;34.62,-26.37,;42.5,-29.95,;44.04,-29.95,)| Show InChI InChI=1S/C28H41N9/c1-2-35-15-17-36(18-16-35)23-13-11-21(12-14-23)31-26-25-27(37(19-30-25)24-5-3-4-6-24)34-28(33-26)32-22-9-7-20(29)8-10-22/h11-14,19-20,22,24H,2-10,15-18,29H2,1H3,(H2,31,32,33,34)/t20-,22- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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UniChem
| Article
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Ly... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453205
(CHEMBL4218371)Show SMILES CC(C)n1cnc2c(Nc3ccc(Br)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:22.23,wD:19.19,(6.35,-5.98,;7.84,-5.58,;8.24,-4.09,;8.98,-6.61,;8.82,-8.14,;10.23,-8.77,;11.26,-7.62,;12.8,-7.62,;13.57,-8.96,;15.11,-8.96,;15.88,-7.62,;17.42,-7.62,;18.19,-8.96,;19.73,-8.96,;17.42,-10.29,;15.88,-10.29,;13.57,-6.29,;12.8,-4.96,;13.57,-3.62,;15.11,-3.62,;15.88,-4.96,;17.42,-4.96,;18.19,-3.62,;19.73,-3.62,;17.42,-2.29,;15.88,-2.29,;11.26,-4.96,;10.49,-6.29,)| Show InChI InChI=1S/C20H26BrN7/c1-12(2)28-11-23-17-18(24-15-7-3-13(21)4-8-15)26-20(27-19(17)28)25-16-9-5-14(22)6-10-16/h3-4,7-8,11-12,14,16H,5-6,9-10,22H2,1-2H3,(H2,24,25,26,27)/t14-,16- | PDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
DrugBank
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| PC cid
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UniChem
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453201
(CHEMBL4208187)Show SMILES NCCCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 Show InChI InChI=1S/C27H40N8O/c28-13-5-1-2-6-14-29-27-32-25(24-26(33-27)35(20-30-24)23-7-3-4-8-23)31-22-11-9-21(10-12-22)19-34-15-17-36-18-16-34/h9-12,20,23H,1-8,13-19,28H2,(H2,29,31,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50300690
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) | PDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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| Purchase
CHEMBL
MCE
PC cid
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PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50437236
(CHEMBL2402946)Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)| Show InChI InChI=1S/C28H34N8O/c29-19-10-12-20(13-11-19)33-28-34-26(25-27(35-28)36(17-32-25)21-5-1-2-6-21)31-16-18-9-14-23(30-15-18)22-7-3-4-8-24(22)37/h3-4,7-9,14-15,17,19-21,37H,1-2,5-6,10-13,16,29H2,(H2,31,33,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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antibodypedia
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of CDK9/Cyclin T1 (unknown origin) using (YSPTSPS)2KK peptide as substrate |
J Med Chem 56: 6234-47 (2013)
Article DOI: 10.1021/jm4006884
BindingDB Entry DOI: 10.7270/Q2FX7BVZ |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453200
(CHEMBL4210745)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCCC2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(26.86,-12.53,;25.32,-12.53,;24.55,-11.19,;23.01,-11.19,;22.24,-12.53,;23.01,-13.86,;24.55,-13.86,;20.7,-12.53,;19.93,-13.86,;20.7,-15.19,;19.93,-16.53,;20.7,-17.86,;22.24,-17.86,;23.01,-16.53,;24.55,-16.53,;25.32,-17.86,;24.55,-19.19,;23.01,-19.19,;26.86,-17.86,;27.76,-16.62,;29.23,-17.09,;29.23,-18.63,;27.76,-19.11,;18.39,-16.53,;17.36,-17.67,;15.95,-17.05,;16.11,-15.51,;14.97,-14.48,;13.46,-14.8,;12.69,-13.47,;13.72,-12.33,;15.13,-12.95,;17.62,-15.19,;18.39,-13.86,)| Show InChI InChI=1S/C26H36N8/c27-18-7-9-20(10-8-18)30-26-31-24(23-25(32-26)34(17-28-23)22-5-1-2-6-22)29-19-11-13-21(14-12-19)33-15-3-4-16-33/h11-14,17-18,20,22H,1-10,15-16,27H2,(H2,29,30,31,32)/t18-,20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453192
(CHEMBL4216043)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CC3(COC3)C2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(16.44,-9.37,;17.21,-10.71,;16.44,-12.04,;17.21,-13.38,;18.75,-13.38,;19.52,-12.04,;18.75,-10.71,;19.52,-14.71,;18.75,-16.04,;19.52,-17.38,;18.75,-18.71,;19.52,-20.04,;21.06,-20.04,;21.83,-18.71,;23.37,-18.71,;24.14,-20.04,;23.37,-21.38,;21.83,-21.38,;25.68,-20.04,;26.77,-21.13,;27.86,-20.04,;28.95,-18.96,;30.04,-20.04,;28.95,-21.13,;26.77,-18.96,;17.21,-18.71,;16.18,-19.85,;14.78,-19.23,;14.94,-17.7,;13.79,-16.67,;12.29,-16.99,;11.52,-15.65,;12.55,-14.51,;13.95,-15.13,;16.44,-17.38,;17.21,-16.04,)| Show InChI InChI=1S/C27H36N8O/c28-18-5-7-20(8-6-18)31-26-32-24(23-25(33-26)35(17-29-23)22-3-1-2-4-22)30-19-9-11-21(12-10-19)34-13-27(14-34)15-36-16-27/h9-12,17-18,20,22H,1-8,13-16,28H2,(H2,30,31,32,33)/t18-,20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Ly... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453194
(CHEMBL4204373)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(23.34,-10.58,;22.01,-11.35,;20.68,-10.58,;19.34,-11.35,;19.34,-12.89,;20.68,-13.66,;22.01,-12.89,;18.01,-13.66,;18.01,-15.2,;19.34,-15.97,;19.34,-17.51,;20.68,-18.28,;22.01,-17.51,;22.01,-15.97,;23.34,-15.2,;24.68,-15.97,;26.01,-15.2,;27.34,-15.97,;28.68,-15.2,;30.01,-15.97,;30.01,-17.51,;28.68,-18.28,;27.34,-17.51,;24.68,-17.51,;23.34,-18.28,;18.01,-18.28,;17.69,-19.79,;16.16,-19.95,;15.53,-18.54,;14.02,-18.22,;12.88,-19.25,;11.55,-18.48,;11.87,-16.98,;13.4,-16.82,;16.67,-17.51,;16.67,-15.97,)| Show InChI InChI=1S/C27H38N8O/c28-20-7-11-22(12-8-20)31-27-32-25(24-26(33-27)35(18-29-24)23-3-1-2-4-23)30-21-9-5-19(6-10-21)17-34-13-15-36-16-14-34/h5-6,9-10,18,20,22-23H,1-4,7-8,11-17,28H2,(H2,30,31,32,33)/t20-,22- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Ly... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453202
(CHEMBL4207317)Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(NCCCCN)nc3n(cnc23)C2CCCC2)cc1 Show InChI InChI=1S/C26H39N9/c1-2-33-15-17-34(18-16-33)21-11-9-20(10-12-21)30-24-23-25(32-26(31-24)28-14-6-5-13-27)35(19-29-23)22-7-3-4-8-22/h9-12,19,22H,2-8,13-18,27H2,1H3,(H2,28,30,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Ly... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50186373
(CHEMBL424696 | N-(5-(2-(cyclohexyloxy)pyrimidin-4-...)Show InChI InChI=1S/C18H19N5OS/c1-2-6-13(7-3-1)24-17-20-11-9-14(22-17)15-12-21-18(25-15)23-16-8-4-5-10-19-16/h4-5,8-13H,1-3,6-7H2,(H,19,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453196
(CHEMBL4216401)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Br)cc2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(13.6,-16.81,;15.14,-16.81,;15.91,-18.14,;17.45,-18.14,;18.22,-16.81,;17.45,-15.47,;15.91,-15.47,;19.76,-16.81,;20.53,-15.47,;19.76,-14.14,;20.53,-12.8,;19.76,-11.47,;18.22,-11.47,;17.45,-12.8,;15.91,-12.8,;15.14,-11.47,;13.6,-11.47,;15.91,-10.14,;17.45,-10.14,;22.07,-12.8,;23.1,-11.66,;24.51,-12.29,;24.35,-13.82,;25.49,-14.85,;27,-14.53,;27.77,-15.86,;26.74,-17.01,;25.33,-16.38,;22.84,-14.14,;22.07,-15.47,)| Show InChI InChI=1S/C22H28BrN7/c23-14-5-9-16(10-6-14)26-20-19-21(30(13-25-19)18-3-1-2-4-18)29-22(28-20)27-17-11-7-15(24)8-12-17/h5-6,9-10,13,15,17-18H,1-4,7-8,11-12,24H2,(H2,26,27,28,29)/t15-,17- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Ly... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453191
(CHEMBL4214231)Show SMILES OCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 Show InChI InChI=1S/C25H35N7O2/c33-14-4-3-11-26-25-29-23(22-24(30-25)32(18-27-22)21-5-1-2-6-21)28-20-9-7-19(8-10-20)17-31-12-15-34-16-13-31/h7-10,18,21,33H,1-6,11-17H2,(H2,26,28,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50146925
(CHEMBL3765564)Show SMILES NC(=O)C(=O)NNC(=O)Nc1cccc2-c3n[nH]c(c3C(=O)c12)-c1ccc(O)cc1 Show InChI InChI=1S/C19H14N6O5/c20-17(28)18(29)24-25-19(30)21-11-3-1-2-10-12(11)16(27)13-14(22-23-15(10)13)8-4-6-9(26)7-5-8/h1-7,26H,(H2,20,28)(H,22,23)(H,24,29)(H2,21,25,30) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453231
(CHEMBL4218104)Show SMILES C(N1CCOCC1)c1ccc(Nc2nc(nc3n(cnc23)C2CCCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C25H33N7O2/c1-2-4-21(3-1)32-18-26-22-23(28-25(29-24(22)32)31-11-15-34-16-12-31)27-20-7-5-19(6-8-20)17-30-9-13-33-14-10-30/h5-8,18,21H,1-4,9-17H2,(H,27,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50437236
(CHEMBL2402946)Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)| Show InChI InChI=1S/C28H34N8O/c29-19-10-12-20(13-11-19)33-28-34-26(25-27(35-28)36(17-32-25)21-5-1-2-6-21)31-16-18-9-14-23(30-15-18)22-7-3-4-8-24(22)37/h3-4,7-9,14-15,17,19-21,37H,1-2,5-6,10-13,16,29H2,(H2,31,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of CDK5/p35 (unknown origin) using histone H1 as substrate |
J Med Chem 56: 6234-47 (2013)
Article DOI: 10.1021/jm4006884
BindingDB Entry DOI: 10.7270/Q2FX7BVZ |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453200
(CHEMBL4210745)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCCC2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(26.86,-12.53,;25.32,-12.53,;24.55,-11.19,;23.01,-11.19,;22.24,-12.53,;23.01,-13.86,;24.55,-13.86,;20.7,-12.53,;19.93,-13.86,;20.7,-15.19,;19.93,-16.53,;20.7,-17.86,;22.24,-17.86,;23.01,-16.53,;24.55,-16.53,;25.32,-17.86,;24.55,-19.19,;23.01,-19.19,;26.86,-17.86,;27.76,-16.62,;29.23,-17.09,;29.23,-18.63,;27.76,-19.11,;18.39,-16.53,;17.36,-17.67,;15.95,-17.05,;16.11,-15.51,;14.97,-14.48,;13.46,-14.8,;12.69,-13.47,;13.72,-12.33,;15.13,-12.95,;17.62,-15.19,;18.39,-13.86,)| Show InChI InChI=1S/C26H36N8/c27-18-7-9-20(10-8-18)30-26-31-24(23-25(32-26)34(17-28-23)22-5-1-2-6-22)29-19-11-13-21(14-12-19)33-15-3-4-16-33/h11-14,17-18,20,22H,1-10,15-16,27H2,(H2,29,30,31,32)/t18-,20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Ly... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453197
(CHEMBL4208701)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(26.32,-12.53,;24.78,-12.53,;24.01,-11.19,;22.47,-11.19,;21.7,-12.53,;22.47,-13.86,;24.01,-13.86,;20.16,-12.53,;19.39,-13.86,;20.16,-15.19,;19.39,-16.53,;20.16,-17.86,;21.7,-17.86,;22.47,-16.53,;24.01,-16.53,;24.78,-17.86,;24.01,-19.19,;22.47,-19.19,;26.32,-17.86,;27.09,-16.53,;28.63,-16.53,;29.4,-17.86,;28.63,-19.19,;27.09,-19.19,;17.85,-16.53,;16.82,-17.67,;15.41,-17.05,;15.58,-15.51,;14.43,-14.48,;12.93,-14.8,;12.16,-13.47,;13.19,-12.33,;14.59,-12.95,;17.08,-15.19,;17.85,-13.86,)| Show InChI InChI=1S/C26H36N8O/c27-18-5-7-20(8-6-18)30-26-31-24(23-25(32-26)34(17-28-23)22-3-1-2-4-22)29-19-9-11-21(12-10-19)33-13-15-35-16-14-33/h9-12,17-18,20,22H,1-8,13-16,27H2,(H2,29,30,31,32)/t18-,20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Ly... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453201
(CHEMBL4208187)Show SMILES NCCCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 Show InChI InChI=1S/C27H40N8O/c28-13-5-1-2-6-14-29-27-32-25(24-26(33-27)35(20-30-24)23-7-3-4-8-23)31-22-11-9-21(10-12-22)19-34-15-17-36-18-16-34/h9-12,20,23H,1-8,13-19,28H2,(H2,29,31,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Ly... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453195
(CHEMBL4202430)Show SMILES NCCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1 Show InChI InChI=1S/C24H34N8O/c25-11-3-4-12-26-24-29-22(21-23(30-24)32(17-27-21)20-5-1-2-6-20)28-18-7-9-19(10-8-18)31-13-15-33-16-14-31/h7-10,17,20H,1-6,11-16,25H2,(H2,26,28,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Ly... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50437235
(CHEMBL2402947)Show SMILES NC1CCC(CC1)Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C3CCCC3)c2n1 |(23.71,-19.02,;22.17,-19.03,;21.41,-20.37,;19.88,-20.39,;19.11,-19.06,;19.85,-17.72,;21.39,-17.71,;17.57,-19.08,;16.78,-17.75,;15.24,-17.76,;14.46,-16.43,;12.92,-16.44,;12.13,-15.11,;10.59,-15.13,;9.81,-13.8,;8.26,-13.83,;7.47,-12.51,;7.51,-15.16,;8.29,-16.48,;9.83,-16.47,;10.62,-17.79,;15.21,-15.08,;14.72,-13.62,;15.95,-12.71,;17.21,-13.59,;18.68,-13.1,;19.93,-13.99,;21.17,-13.06,;20.67,-11.6,;19.13,-11.62,;16.75,-15.07,;17.55,-16.4,)| Show InChI InChI=1S/C23H30ClN7O/c24-15-5-10-19(32)14(11-15)12-26-21-20-22(31(13-27-20)18-3-1-2-4-18)30-23(29-21)28-17-8-6-16(25)7-9-17/h5,10-11,13,16-18,32H,1-4,6-9,12,25H2,(H2,26,28,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK1 |
J Med Chem 56: 6234-47 (2013)
Article DOI: 10.1021/jm4006884
BindingDB Entry DOI: 10.7270/Q2FX7BVZ |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453193
(CHEMBL4213103)Show SMILES NCCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 Show InChI InChI=1S/C26H38N8O/c27-12-4-1-5-13-28-26-31-24(23-25(32-26)34(19-29-23)22-6-2-3-7-22)30-21-10-8-20(9-11-21)18-33-14-16-35-17-15-33/h8-11,19,22H,1-7,12-18,27H2,(H2,28,30,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Ly... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453199
(CHEMBL4209655)Show SMILES C(Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1)c1ccccc1 Show InChI InChI=1S/C28H33N7O/c1-2-6-21(7-3-1)18-29-28-32-26(25-27(33-28)35(20-30-25)24-8-4-5-9-24)31-23-12-10-22(11-13-23)19-34-14-16-36-17-15-34/h1-3,6-7,10-13,20,24H,4-5,8-9,14-19H2,(H2,29,31,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453192
(CHEMBL4216043)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CC3(COC3)C2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(16.44,-9.37,;17.21,-10.71,;16.44,-12.04,;17.21,-13.38,;18.75,-13.38,;19.52,-12.04,;18.75,-10.71,;19.52,-14.71,;18.75,-16.04,;19.52,-17.38,;18.75,-18.71,;19.52,-20.04,;21.06,-20.04,;21.83,-18.71,;23.37,-18.71,;24.14,-20.04,;23.37,-21.38,;21.83,-21.38,;25.68,-20.04,;26.77,-21.13,;27.86,-20.04,;28.95,-18.96,;30.04,-20.04,;28.95,-21.13,;26.77,-18.96,;17.21,-18.71,;16.18,-19.85,;14.78,-19.23,;14.94,-17.7,;13.79,-16.67,;12.29,-16.99,;11.52,-15.65,;12.55,-14.51,;13.95,-15.13,;16.44,-17.38,;17.21,-16.04,)| Show InChI InChI=1S/C27H36N8O/c28-18-5-7-20(8-6-18)31-26-32-24(23-25(33-26)35(17-29-23)22-3-1-2-4-22)30-19-9-11-21(12-10-19)34-13-27(14-34)15-36-16-27/h9-12,17-18,20,22H,1-8,13-16,28H2,(H2,30,31,32,33)/t18-,20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453232
(CHEMBL4210755)Show SMILES OCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 Show InChI InChI=1S/C23H31N7O2/c31-12-9-24-23-27-21(20-22(28-23)30(16-25-20)19-3-1-2-4-19)26-18-7-5-17(6-8-18)15-29-10-13-32-14-11-29/h5-8,16,19,31H,1-4,9-15H2,(H2,24,26,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L... |
J Med Chem 61: 3855-3869 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM7646
(CHEMBL102926 | Imidazo[1,2-a]pyridine deriv. 6 | N...)Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2c(C)nc3ccccn23)cc1 Show InChI InChI=1S/C23H26N6O2/c1-16-22(29-13-5-4-6-21(29)25-16)20-11-12-24-23(27-20)26-17-7-9-19(10-8-17)31-15-18(30)14-28(2)3/h4-13,18,30H,14-15H2,1-3H3,(H,24,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50146929
(CHEMBL3765805)Show SMILES CC(C)[C@H](CO)Nc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H27ClN6O/c1-12(2)16(10-28)24-20-25-18(22-9-14-5-7-15(21)8-6-14)17-19(26-20)27(11-23-17)13(3)4/h5-8,11-13,16,28H,9-10H2,1-4H3,(H2,22,24,25,26)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
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