Found 13381 hits for monomerid = 13216,13336,13530,13531,13533,13534,13535,15138,15244,16673,17055,21079,24654,24773,25013 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Vascular endothelial growth factor receptor 2
(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 MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 (unknown origin) using biotin substrate incubated for 1 hr by HTRF method |
J Med Chem 61: 140-157 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01091 BindingDB Entry DOI: 10.7270/Q2GB26GX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Wee1-like protein kinase
(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 MMDB
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| Article PubMed
| n/a | n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His6-tagged Wee1 kinase domain (291 to 575 residues) expressed in Escherichia coli BL21 (DE3) by iso... |
J Med Chem 60: 7863-7875 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00996 BindingDB Entry DOI: 10.7270/Q26112G9 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase 2
(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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| n/a | n/a | n/a | 481 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His6-tagged Wee2 kinase domain (202 to 492 residues) expressed in Escherichia coli BL21 (DE3) by iso... |
J Med Chem 60: 7863-7875 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00996 BindingDB Entry DOI: 10.7270/Q26112G9 |
More data for this Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(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 MMDB
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| n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His6-tagged Myt1 kinase domain (75 to 361 residues) by isothermal titration calorimetry |
J Med Chem 60: 7863-7875 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00996 BindingDB Entry DOI: 10.7270/Q26112G9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB MMDB
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| n/a | n/a | n/a | 0.123 | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description Binding affinity to wild type human biotin labelled p38 alpha (9 to 352 residues) expressed in sf21 insect cells SPR analysis |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB MMDB
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| n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description Binding affinity to wild type human biotin labelled p38 alpha (9 to 352 residues) expressed in sf21 insect cells assessed as dissociation rate consta... |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM21079
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) | PDB MMDB
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| n/a | n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a |
Oncologia Medica, Dipartimento Medico-Chirurgico di Internistica Clinica e Sperimentale"F. Magrassi e A. Lanzara", Università della Campania"Luigi Vanvitelli" , Via Pansini 6, 801
Curated by ChEMBL
| Assay Description Inhibition of MET (unknown origin) |
J Med Chem 60: 7447-7458 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00794 BindingDB Entry DOI: 10.7270/Q22B91GS |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM15244
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)| Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zagreb
Curated by ChEMBL
| Assay Description Inhibition of MAPK p38 (unknown origin) |
Eur J Med Chem 143: 1616-1634 (2018)
Article DOI: 10.1016/j.ejmech.2017.10.061 BindingDB Entry DOI: 10.7270/Q2VM4FSS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 11/12/13/14
(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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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zagreb
Curated by ChEMBL
| Assay Description Inhibition of MAPK p38 (unknown origin) |
Eur J Med Chem 143: 1616-1634 (2018)
Article DOI: 10.1016/j.ejmech.2017.10.061 BindingDB Entry DOI: 10.7270/Q2VM4FSS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 11/12/13/14
(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 | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zagreb
Curated by ChEMBL
| Assay Description Inhibition of MAPK p38 (unknown origin) |
Eur J Med Chem 143: 1616-1634 (2018)
Article DOI: 10.1016/j.ejmech.2017.10.061 BindingDB Entry DOI: 10.7270/Q2VM4FSS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(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 MMDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Medical University
Curated by ChEMBL
| Assay Description Inhibition of BRAF V600E mutant (unknown origin) by Z'-Lyte assay |
Eur J Med Chem 155: 210-228 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.054 BindingDB Entry DOI: 10.7270/Q2FR005G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(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 MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Medical University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged VEGFR2 cytoplasmic domain (789 to 1356 residues) expressed in baculovirus expression system by Z'-Lyte ass... |
Eur J Med Chem 155: 210-228 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.054 BindingDB Entry DOI: 10.7270/Q2FR005G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM25013
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...)Show SMILES CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r| Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1 | PDB
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| n/a | n/a | 1.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadolu University
Curated by ChEMBL
| Assay Description Inhibition of Akt in human A549 cells after 24 hrs by ELISA |
Eur J Med Chem 155: 905-924 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.049 BindingDB Entry DOI: 10.7270/Q2RX9FN2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
RAC-alpha serine/threonine-protein kinase
(Rattus norvegicus) | BDBM25013
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...)Show SMILES CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r| Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1 | PDB
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| n/a | n/a | 6.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadolu University
Curated by ChEMBL
| Assay Description Inhibition of Akt in rat C6 cells after 24 hrs by ELISA |
Eur J Med Chem 155: 905-924 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.049 BindingDB Entry DOI: 10.7270/Q2RX9FN2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Angiopoietin-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 MMDB
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| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of TIE-2 (unknown origin) after 4 hrs by ADP-Glo luminescence assay |
Eur J Med Chem 141: 506-518 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.030 BindingDB Entry DOI: 10.7270/Q2H997Q3 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(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 MMDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum |
Eur J Med Chem 136: 315-329 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.068 BindingDB Entry DOI: 10.7270/Q21Z46XP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ephrin type-B receptor 4
(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 MMDB
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| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of EphB4 (unknown origin) after 4 hrs by ADP-Glo luminescence assay |
Eur J Med Chem 141: 506-518 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.030 BindingDB Entry DOI: 10.7270/Q2H997Q3 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(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 MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR-2 (unknown origin) after 60 mins by ADP-Glo luminescence assay |
Eur J Med Chem 141: 506-518 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.030 BindingDB Entry DOI: 10.7270/Q2H997Q3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(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 MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangxi Science & Technology Normal University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 (unknown origin) incubated for 10 mins using FAM-labeled peptide and ATP by mobility shift assay |
Bioorg Med Chem 25: 5754-5763 (2017)
Article DOI: 10.1016/j.bmc.2017.09.003 BindingDB Entry DOI: 10.7270/Q2057JGW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(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 MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangxi Science & Technology Normal University
Curated by ChEMBL
| Assay Description Inhibition of BRAF (unknown origin) incubated for 10 mins using FAM-labeled peptide and ATP by mobility shift assay |
Bioorg Med Chem 25: 5754-5763 (2017)
Article DOI: 10.1016/j.bmc.2017.09.003 BindingDB Entry DOI: 10.7270/Q2057JGW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
RAF proto-oncogene serine/threonine-protein kinase
(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 MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangxi Science & Technology Normal University
Curated by ChEMBL
| Assay Description Inhibition of CRAF (unknown origin) incubated for 10 mins using FAM-labeled peptide and ATP by mobility shift assay |
Bioorg Med Chem 25: 5754-5763 (2017)
Article DOI: 10.1016/j.bmc.2017.09.003 BindingDB Entry DOI: 10.7270/Q2057JGW |
More data for this Ligand-Target Pair | |
Angiopoietin-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 MMDB
KEGG
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| Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition constant was determined against HIV-1 protease |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008 BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this Ligand-Target Pair | |
Ephrin type-B receptor 4
(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 MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008 BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(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 MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 (unknown origin) using Poly E4Y1 substrate after 1 hr by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008 BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase ABL1
(Mus musculus) | 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 MMDB
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| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase ABL1
(Mus musculus) | 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 MMDB
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| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay |
Bioorg Med Chem Lett 27: 4832-4837 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Mus musculus) | 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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated... |
Bioorg Med Chem 26: 2372-2380 (2018)
Article DOI: 10.1016/j.bmc.2018.03.038 BindingDB Entry DOI: 10.7270/Q27M0BKR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(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 MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Radiation Research and Technology (NCRRT)
Curated by ChEMBL
| Assay Description Inhibition of human VEGFR-2 after 2.5 hrs by ELISA |
Bioorg Med Chem Lett 28: 1464-1470 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.089 BindingDB Entry DOI: 10.7270/Q2Z60RQW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(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 MMDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Key Laboratory of Molecular Pharmacology and Drug Evaluation (Yantai University)
Curated by ChEMBL
| Assay Description Inhibition of B-Raf V600E mutant (unknown origin) using MEK1 as substrate measured after 2 hrs by ELISA |
Bioorg Med Chem 26: 2381-2391 (2018)
Article DOI: 10.1016/j.bmc.2018.03.039 BindingDB Entry DOI: 10.7270/Q2JW8HHH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(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 MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Key Laboratory of Molecular Pharmacology and Drug Evaluation (Yantai University)
Curated by ChEMBL
| Assay Description Inhibition of B-Raf (unknown origin) using MEK1 as substrate measured after 2 hrs by ELISA |
Bioorg Med Chem 26: 2381-2391 (2018)
Article DOI: 10.1016/j.bmc.2018.03.039 BindingDB Entry DOI: 10.7270/Q2JW8HHH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(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 MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Key Laboratory of Molecular Pharmacology and Drug Evaluation (Yantai University)
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 (unknown origin) using FAM-labelled peptide as substrate pretreated for 10 mins followed by substrate addition measured after 30... |
Bioorg Med Chem 26: 2381-2391 (2018)
Article DOI: 10.1016/j.bmc.2018.03.039 BindingDB Entry DOI: 10.7270/Q2JW8HHH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(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 MMDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(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 MMDB
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| n/a | n/a | 202 | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl... |
Bioorg Med Chem 26: 4014-4024 (2018)
Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(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 MMDB
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| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of human VEGFR2 after 2 hrs by ELISA |
Eur J Med Chem 143: 1807-1825 (2018)
Article DOI: 10.1016/j.ejmech.2017.10.075 BindingDB Entry DOI: 10.7270/Q2BC426J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Inhibition of Bcr-Abl (unknown origin) |
Bioorg Med Chem Lett 28: 2616-2621 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
MAP kinase-interacting serine/threonine-protein kinase 2
(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 MMDB
KEGG
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| n/a | n/a | 262 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of MNK2 (unknown origin) using S3 as substrate measured after 60 mins by HTRF assay |
Bioorg Med Chem 26: 4602-4614 (2018)
Article DOI: 10.1016/j.bmc.2018.05.004 BindingDB Entry DOI: 10.7270/Q2CF9SR9 |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM21079
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) | PDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human FLT3 using biotin labeled substrate after 1 hr by HTFR assay |
Bioorg Med Chem 26: 4735-4744 (2018)
Article DOI: 10.1016/j.bmc.2018.08.013 BindingDB Entry DOI: 10.7270/Q208680Z |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM21079
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human PDGFRbeta using biotin labeled substrate after 1 hr by HTFR assay |
Bioorg Med Chem 26: 4735-4744 (2018)
Article DOI: 10.1016/j.bmc.2018.08.013 BindingDB Entry DOI: 10.7270/Q208680Z |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM21079
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human KDR using biotin labeled substrate after 1 hr by HTFR assay |
Bioorg Med Chem 26: 4735-4744 (2018)
Article DOI: 10.1016/j.bmc.2018.08.013 BindingDB Entry DOI: 10.7270/Q208680Z |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | >15 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin international Joint Academy of BioMedicine
Curated by ChEMBL
| Assay Description Inhibition of human BCR/ABL V299L mutant |
Bioorg Med Chem Lett 28: 700-706 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.011 BindingDB Entry DOI: 10.7270/Q2222XBB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM21079
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) | PDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia
Curated by ChEMBL
| Assay Description Inhibition of CDK8 (unknown origin) |
J Med Chem 61: 5073-5092 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00901 BindingDB Entry DOI: 10.7270/Q29W0J3B |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Mus musculus) | 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 MMDB
Reactome pathway
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia
Curated by ChEMBL
| Assay Description Inhibition of mouse FLK1 (785 to 1367 residues) expressed in sf9 cells after 1.5 to 2 hrs by TR-FRET assay |
J Med Chem 61: 5073-5092 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00901 BindingDB Entry DOI: 10.7270/Q29W0J3B |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 8
(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
Reactome pathway KEGG
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| n/a | n/a | 199 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia
Curated by ChEMBL
| Assay Description Inhibition of CDK8 (unknown origin) |
J Med Chem 61: 5073-5092 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00901 BindingDB Entry DOI: 10.7270/Q29W0J3B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
RAF proto-oncogene serine/threonine-protein kinase
(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 MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia
Curated by ChEMBL
| Assay Description Inhibition of recombinant Raf-1 (305 to 648 residues) (unknown origin) expressed in baculovirus expression system using MEk1 as substrate after 25 mi... |
J Med Chem 61: 5073-5092 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00901 BindingDB Entry DOI: 10.7270/Q29W0J3B |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(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 MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia
Curated by ChEMBL
| Assay Description Inhibition of recombinant BRAF (409 to 765 residues) V599E mutant (unknown origin) expressed in baculovirus expression system using MEk1 as substrate... |
J Med Chem 61: 5073-5092 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00901 BindingDB Entry DOI: 10.7270/Q29W0J3B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(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 MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia
Curated by ChEMBL
| Assay Description Inhibition of human VEGFR2 expressed in sf9 cells after 1.5 to 2 hrs by TR-FRET assay |
J Med Chem 61: 5073-5092 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00901 BindingDB Entry DOI: 10.7270/Q29W0J3B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 8
(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
Reactome pathway KEGG
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| n/a | n/a | 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia
Curated by ChEMBL
| Assay Description Inhibition of CDK8 (unknown origin) expressed in human 7dF3 cells harboring TCF/LEF WNT-reporter assessed as inhibition of Wnt pathway after 24 hrs b... |
J Med Chem 61: 5073-5092 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00901 BindingDB Entry DOI: 10.7270/Q29W0J3B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 8
(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
Reactome pathway KEGG
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| n/a | n/a | 4.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia
Curated by ChEMBL
| Assay Description Inhibition of CDK8 in human LS174T cells harboring TCF/LEF WNT-reporter assessed as inhibition of Wnt pathway after 24 hrs by luciferase reporter gen... |
J Med Chem 61: 5073-5092 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00901 BindingDB Entry DOI: 10.7270/Q29W0J3B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM21079
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia
Curated by ChEMBL
| Assay Description Inhibition of human VEGFR2 expressed in sf9 cells after 1.5 to 2 hrs by TR-FRET assay |
J Med Chem 61: 5073-5092 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00901 BindingDB Entry DOI: 10.7270/Q29W0J3B |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM21079
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) | PDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia
Curated by ChEMBL
| Assay Description Inhibition of CDK8 (unknown origin) expressed in human 7dF3 cells harboring TCF/LEF WNT-reporter assessed as inhibition of Wnt pathway after 24 hrs b... |
J Med Chem 61: 5073-5092 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00901 BindingDB Entry DOI: 10.7270/Q29W0J3B |
More data for this Ligand-Target Pair | |