Found 81 hits with Last Name = 'qi' and Initial = 'rz' 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)) | BDBM50277608
(CHEMBL4173067)Show SMILES COc1ccc(Nc2nccc(n2)-c2c[nH]c3ccccc23)c(OC)c1 Show InChI InChI=1S/C20H18N4O2/c1-25-13-7-8-18(19(11-13)26-2)24-20-21-10-9-17(23-20)15-12-22-16-6-4-3-5-14(15)16/h3-12,22H,1-2H3,(H,21,23,24) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50277608
(CHEMBL4173067)Show SMILES COc1ccc(Nc2nccc(n2)-c2c[nH]c3ccccc23)c(OC)c1 Show InChI InChI=1S/C20H18N4O2/c1-25-13-7-8-18(19(11-13)26-2)24-20-21-10-9-17(23-20)15-12-22-16-6-4-3-5-14(15)16/h3-12,22H,1-2H3,(H,21,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| | 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM185149
(1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...)Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 Show InChI InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM144315
(Gilteritinib | US11512074, Example T-9 | US8969336...)Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1 Show InChI InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| | n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM144315
(Gilteritinib | US11512074, Example T-9 | US8969336...)Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1 Show InChI InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM13535
(4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin...)Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 Show InChI InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM185149
(1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...)Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 Show InChI InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM185149
(1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...)Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 Show InChI InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50056199
(CHEMBL3329684)Show SMILES COc1ccc(C(=O)NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)NCCN5CCCC5)c4C)C(=O)Nc3c2)c(F)c1 Show InChI InChI=1S/C31H33FN6O5/c1-17-25(34-18(2)27(17)30(41)33-10-13-38-11-4-5-12-38)16-23-21-8-6-19(14-26(21)36-29(23)40)35-31(42)37-28(39)22-9-7-20(43-3)15-24(22)32/h6-9,14-16,34H,4-5,10-13H2,1-3H3,(H,33,41)(H,36,40)(H2,35,37,39,42)/b23-16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50422751
(DENFIVONTINIB | Denfivontinib | G-749)Show SMILES CCCCCCCCN1C(=O)NC(C1=O)(c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C25H32N2O2/c1-4-5-6-7-8-9-18-27-23(28)25(26-24(27)29,21-14-10-19(2)11-15-21)22-16-12-20(3)13-17-22/h10-17H,4-9,18H2,1-3H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50422749
(CHEMBL5287891)Show SMILES CCCCN1C(=S)NC(C1=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H18Cl2N2OS/c1-2-3-12-23-17(24)19(22-18(23)25,13-4-8-15(20)9-5-13)14-6-10-16(21)11-7-14/h4-11H,2-3,12H2,1H3,(H,22,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50056199
(CHEMBL3329684)Show SMILES COc1ccc(C(=O)NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)NCCN5CCCC5)c4C)C(=O)Nc3c2)c(F)c1 Show InChI InChI=1S/C31H33FN6O5/c1-17-25(34-18(2)27(17)30(41)33-10-13-38-11-4-5-12-38)16-23-21-8-6-19(14-26(21)36-29(23)40)35-31(42)37-28(39)22-9-7-20(43-3)15-24(22)32/h6-9,14-16,34H,4-5,10-13H2,1-3H3,(H,33,41)(H,36,40)(H2,35,37,39,42)/b23-16- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50422752
(CHEMBL5284731)Show InChI InChI=1S/C22H26N2OS/c1-2-3-4-5-12-17-24-20(25)22(23-21(24)26,18-13-8-6-9-14-18)19-15-10-7-11-16-19/h6-11,13-16H,2-5,12,17H2,1H3,(H,23,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50380950
(CHEMBL2016905)Show SMILES Fc1ccc2[nH]c(=O)c(cc2c1)-c1nc2CCN(Cc2[nH]1)C(=O)c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C28H28FN5O2/c29-21-8-9-23-20(14-21)15-22(27(35)32-23)26-30-24-10-13-34(17-25(24)31-26)28(36)19-6-4-18(5-7-19)16-33-11-2-1-3-12-33/h4-9,14-15H,1-3,10-13,16-17H2,(H,30,31)(H,32,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50422751
(DENFIVONTINIB | Denfivontinib | G-749)Show SMILES CCCCCCCCN1C(=O)NC(C1=O)(c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C25H32N2O2/c1-4-5-6-7-8-9-18-27-23(28)25(26-24(27)29,21-14-10-19(2)11-15-21)22-16-12-20(3)13-17-22/h10-17H,4-9,18H2,1-3H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM3033
(3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0...)Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12 Show InChI InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
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DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50055496
(CHEMBL3326006)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)| Show InChI InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24- | PDB
NCI pathway
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PC cid
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PDB
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Similars
| | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50326053
(CHEMBL608533 | PKC-412)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | PDB
NCI pathway
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KEGG
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UniChem
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Similars
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50601438
(CHEMBL5170277)Show SMILES COc1cc2c(Oc3ccc(NC(=O)Nc4cccc(C)c4)cc3F)ccnc2cc1OCCCN1CCOCC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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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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CHEMBL
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PC cid
PC sid
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UniChem
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Similars
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM185149
(1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...)Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 Show InChI InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3 | PDB
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| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50380974
(CHEMBL2016903)Show SMILES Fc1ccc2[nH]c(=O)c(cc2c1)-c1nc2CCN(Cc2[nH]1)C(=O)c1ccncc1 Show InChI InChI=1S/C21H16FN5O2/c22-14-1-2-16-13(9-14)10-15(20(28)26-16)19-24-17-5-8-27(11-18(17)25-19)21(29)12-3-6-23-7-4-12/h1-4,6-7,9-10H,5,8,11H2,(H,24,25)(H,26,28) | PDB
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| | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB
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| PDB
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | 
3D Structure (crystal) |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM350864
(UNC1666A | US10004755, Compound UNC1666A | US97956...)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:12.11,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;2.08,4.17,;1.68,2.68,;3.97,6.05,;2.43,6.05,;4.36,7.54,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,)| Show InChI InChI=1S/C26H35N5O4S/c1-2-3-12-27-26-28-17-23-24(18-31(25(23)29-26)20-6-8-21(32)9-7-20)19-4-10-22(11-5-19)36(33,34)30-13-15-35-16-14-30/h4-5,10-11,17-18,20-21,32H,2-3,6-9,12-16H2,1H3,(H,27,28,29)/t20-,21- | PDB
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| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
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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
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| | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50422748
(CHEMBL5269280)Show SMILES CCCCCCCCCCCCCCCCCCN1C(=S)NC(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H48N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-35-31(36)33(34-32(35)37,29-24-19-17-20-25-29)30-26-21-18-22-27-30/h17-22,24-27H,2-16,23,28H2,1H3,(H,34,37) | PDB
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| | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM144315
(Gilteritinib | US11512074, Example T-9 | US8969336...)Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1 Show InChI InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34) | PDB
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| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50422745
(CHEMBL4066041)Show InChI InChI=1S/C15H12N2OS/c18-14-13(11-7-3-1-4-8-11)17(15(19)16-14)12-9-5-2-6-10-12/h1-10,18H,(H,16,19) | PDB
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| | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50422748
(CHEMBL5269280)Show SMILES CCCCCCCCCCCCCCCCCCN1C(=S)NC(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H48N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-35-31(36)33(34-32(35)37,29-24-19-17-20-25-29)30-26-21-18-22-27-30/h17-22,24-27H,2-16,23,28H2,1H3,(H,34,37) | PDB
NCI pathway
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| | n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50250180
(CHEMBL4101411)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-n2nc(-c3ccc(OCCN4CCOCC4)cc3)c3c(N)ncnc23)no1 Show InChI InChI=1S/C31H35N9O4/c1-31(2,3)24-18-25(38-44-24)36-30(41)35-21-6-8-22(9-7-21)40-29-26(28(32)33-19-34-29)27(37-40)20-4-10-23(11-5-20)43-17-14-39-12-15-42-16-13-39/h4-11,18-19H,12-17H2,1-3H3,(H2,32,33,34)(H2,35,36,38,41) | PDB
NCI pathway
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| | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50601438
(CHEMBL5170277)Show SMILES COc1cc2c(Oc3ccc(NC(=O)Nc4cccc(C)c4)cc3F)ccnc2cc1OCCCN1CCOCC1 | PDB
NCI pathway
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| | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50162967
(CHEMBL3792850)Show SMILES O=C(Nc1ccc(CN2CCN(CC2)c2ccccc2)cc1)c1n[nH]c2ccccc12 Show InChI InChI=1S/C25H25N5O/c31-25(24-22-8-4-5-9-23(22)27-28-24)26-20-12-10-19(11-13-20)18-29-14-16-30(17-15-29)21-6-2-1-3-7-21/h1-13H,14-18H2,(H,26,31)(H,27,28) | PDB
NCI pathway
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| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB
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| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50422746
(CHEMBL5274495)Show SMILES CCCCCCCCCCN1C(=S)NC(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H32N2OS/c1-2-3-4-5-6-7-8-15-20-27-23(28)25(26-24(27)29,21-16-11-9-12-17-21)22-18-13-10-14-19-22/h9-14,16-19H,2-8,15,20H2,1H3,(H,26,29) | PDB
MMDB
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| | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50193118
(CHEMBL3904118)Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C)c(C)c23)-c2cccs2)C1=O |t:1| Show InChI InChI=1S/C17H14N4O2S2/c1-8-7-12(22)21(17(8)23)20-15-13-9(2)10(3)25-16(13)19-14(18-15)11-5-4-6-24-11/h4-7H,1-3H3,(H,18,19,20) | PDB
NCI pathway
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| | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50422752
(CHEMBL5284731)Show InChI InChI=1S/C22H26N2OS/c1-2-3-4-5-12-17-24-20(25)22(23-21(24)26,18-13-8-6-9-14-18)19-15-10-7-11-16-19/h6-11,13-16H,2-5,12,17H2,1H3,(H,23,26) | PDB
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| | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50193118
(CHEMBL3904118)Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C)c(C)c23)-c2cccs2)C1=O |t:1| Show InChI InChI=1S/C17H14N4O2S2/c1-8-7-12(22)21(17(8)23)20-15-13-9(2)10(3)25-16(13)19-14(18-15)11-5-4-6-24-11/h4-7H,1-3H3,(H,18,19,20) | PDB
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| | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50135187
(CHEMBL3745919 | US10266535, Compound 22)Show SMILES CN(C)CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C26H29N7O2/c1-31(2)16-22(34)32-14-6-7-19(15-32)33-26-23(25(27)28-17-29-26)24(30-33)18-10-12-21(13-11-18)35-20-8-4-3-5-9-20/h3-5,8-13,17,19H,6-7,14-16H2,1-2H3,(H2,27,28,29)/t19-/m1/s1 | PDB
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| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| | n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM3033
(3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0...)Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12 Show InChI InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29) | PDB
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| | n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50422746
(CHEMBL5274495)Show SMILES CCCCCCCCCCN1C(=S)NC(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H32N2OS/c1-2-3-4-5-6-7-8-15-20-27-23(28)25(26-24(27)29,21-16-11-9-12-17-21)22-18-13-10-14-19-22/h9-14,16-19H,2-8,15,20H2,1H3,(H,26,29) | PDB
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| | n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50422747
(CHEMBL5283098)Show InChI InChI=1S/C17H16N2O2/c1-2-19-15(20)17(18-16(19)21,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,18,21) | PDB
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| | n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM3033
(3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0...)Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12 Show InChI InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29) | PDB
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50250180
(CHEMBL4101411)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-n2nc(-c3ccc(OCCN4CCOCC4)cc3)c3c(N)ncnc23)no1 Show InChI InChI=1S/C31H35N9O4/c1-31(2,3)24-18-25(38-44-24)36-30(41)35-21-6-8-22(9-7-21)40-29-26(28(32)33-19-34-29)27(37-40)20-4-10-23(11-5-20)43-17-14-39-12-15-42-16-13-39/h4-11,18-19H,12-17H2,1-3H3,(H2,32,33,34)(H2,35,36,38,41) | PDB
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| | n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50422750
(CHEMBL5268237)Show InChI InChI=1S/C10H18N2O2/c1-2-3-4-5-6-7-12-9(13)8-11-10(12)14/h8,13H,2-7H2,1H3,(H,11,14) | PDB
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| CHEMBL
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| | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM3033
(3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0...)Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12 Show InChI InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29) | PDB
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| | n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
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Institute of Molecular and Cell Biology
Curated by ChEMBL
| Assay Description
Inhibition of Cell division cycle 2 (CDK1)-cyclin B |
Bioorg Med Chem Lett 12: 1129-32 (2002)
BindingDB Entry DOI: 10.7270/Q2CC1006 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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