Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50013325 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 |
|---|
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50564768
(Azaepothilone b | BMS 247550-01 | BMS-247550 | BMS...)Show SMILES [H][C@]12C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@@]1(C)O2)C(\C)=C\c1csc(C)n1 |r| | PDB
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| Article
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| n/a | n/a | n/a | 337 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human recombinant Bcl-2 expressed in Escherichia coli by Surface plasmon resonance assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112421
BindingDB Entry DOI: 10.7270/Q2RN3CK9 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM13216
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | PDB
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| Article
PubMed
| n/a | n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human CSF1R |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112421
BindingDB Entry DOI: 10.7270/Q2RN3CK9 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(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 | n/a | 28 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human CSF1R |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112421
BindingDB Entry DOI: 10.7270/Q2RN3CK9 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(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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| Article
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| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human NTRK1 |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112421
BindingDB Entry DOI: 10.7270/Q2RN3CK9 |
More data for this
Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(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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| Article
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| n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human DDR1 |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112421
BindingDB Entry DOI: 10.7270/Q2RN3CK9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM13530
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human FLT4 |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112421
BindingDB Entry DOI: 10.7270/Q2RN3CK9 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(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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| Article
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| n/a | n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human PDGFRA |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112421
BindingDB Entry DOI: 10.7270/Q2RN3CK9 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(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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Article
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| n/a | n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human RET |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112421
BindingDB Entry DOI: 10.7270/Q2RN3CK9 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL2
(Homo sapiens (Human)) | BDBM13530
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) | PDB
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Article
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| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ABL2 |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112421
BindingDB Entry DOI: 10.7270/Q2RN3CK9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM13530
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human FLT3 |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112421
BindingDB Entry DOI: 10.7270/Q2RN3CK9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(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 | n/a | 31 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human FLT1 |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112421
BindingDB Entry DOI: 10.7270/Q2RN3CK9 |
More data for this
Ligand-Target Pair | |
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