Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50049266 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 |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50237553
(CHEMBL4071058)Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C21H22BrN5O3/c1-21(2,3)30-20(29)23-11-18(28)26-15-7-8-17-16(10-15)19(25-12-24-17)27-14-6-4-5-13(22)9-14/h4-10,12H,11H2,1-3H3,(H,23,29)(H,26,28)(H,24,25,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50237554
(CHEMBL4098587)Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C21H21ClFN5O3/c1-21(2,3)31-20(30)24-10-18(29)27-12-5-7-17-14(8-12)19(26-11-25-17)28-13-4-6-16(23)15(22)9-13/h4-9,11H,10H2,1-3H3,(H,24,30)(H,27,29)(H,25,26,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50237602
(CHEMBL4061283)Show SMILES CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r| Show InChI InChI=1S/C25H30BrN5O3/c1-6-15(2)21(31-24(33)34-25(3,4)5)23(32)30-18-10-11-20-19(13-18)22(28-14-27-20)29-17-9-7-8-16(26)12-17/h7-15,21H,6H2,1-5H3,(H,30,32)(H,31,33)(H,27,28,29)/t15-,21+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM14210
(4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-mo...)Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50237556
(CHEMBL4087241)Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C25H29ClFN5O3/c1-14(2)10-21(32-24(34)35-25(3,4)5)23(33)31-15-7-9-20-17(11-15)22(29-13-28-20)30-16-6-8-19(27)18(26)12-16/h6-9,11-14,21H,10H2,1-5H3,(H,31,33)(H,32,34)(H,28,29,30)/t21-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50237550
(CHEMBL4091010)Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r| Show InChI InChI=1S/C25H30BrN5O3/c1-15(2)11-21(31-24(33)34-25(3,4)5)23(32)30-18-9-10-20-19(13-18)22(28-14-27-20)29-17-8-6-7-16(26)12-17/h6-10,12-15,21H,11H2,1-5H3,(H,30,32)(H,31,33)(H,27,28,29)/t21-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM14210
(4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-mo...)Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 156 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50237567
(CHEMBL4092491)Show SMILES CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1 |r| Show InChI InChI=1S/C25H28F3N5O3/c1-14(2)20(33-23(35)36-24(3,4)5)22(34)32-17-9-10-19-18(12-17)21(30-13-29-19)31-16-8-6-7-15(11-16)25(26,27)28/h6-14,20H,1-5H3,(H,32,34)(H,33,35)(H,29,30,31)/t20-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237553
(CHEMBL4071058)Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C21H22BrN5O3/c1-21(2,3)30-20(29)23-11-18(28)26-15-7-8-17-16(10-15)19(25-12-24-17)27-14-6-4-5-13(22)9-14/h4-10,12H,11H2,1-3H3,(H,23,29)(H,26,28)(H,24,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50237553
(CHEMBL4071058)Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C21H22BrN5O3/c1-21(2,3)30-20(29)23-11-18(28)26-15-7-8-17-16(10-15)19(25-12-24-17)27-14-6-4-5-13(22)9-14/h4-10,12H,11H2,1-3H3,(H,23,29)(H,26,28)(H,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50237553
(CHEMBL4071058)Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C21H22BrN5O3/c1-21(2,3)30-20(29)23-11-18(28)26-15-7-8-17-16(10-15)19(25-12-24-17)27-14-6-4-5-13(22)9-14/h4-10,12H,11H2,1-3H3,(H,23,29)(H,26,28)(H,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.87E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237554
(CHEMBL4098587)Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C21H21ClFN5O3/c1-21(2,3)31-20(30)24-10-18(29)27-12-5-7-17-14(8-12)19(26-11-25-17)28-13-4-6-16(23)15(22)9-13/h4-9,11H,10H2,1-3H3,(H,24,30)(H,27,29)(H,25,26,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237660
(CHEMBL4084745)Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C22H22F3N5O3/c1-21(2,3)33-20(32)26-11-18(31)29-15-7-8-17-16(10-15)19(28-12-27-17)30-14-6-4-5-13(9-14)22(23,24)25/h4-10,12H,11H2,1-3H3,(H,26,32)(H,29,31)(H,27,28,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50237567
(CHEMBL4092491)Show SMILES CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1 |r| Show InChI InChI=1S/C25H28F3N5O3/c1-14(2)20(33-23(35)36-24(3,4)5)22(34)32-17-9-10-19-18(12-17)21(30-13-29-19)31-16-8-6-7-15(11-16)25(26,27)28/h6-14,20H,1-5H3,(H,32,34)(H,33,35)(H,29,30,31)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of RAF (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50237567
(CHEMBL4092491)Show SMILES CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1 |r| Show InChI InChI=1S/C25H28F3N5O3/c1-14(2)20(33-23(35)36-24(3,4)5)22(34)32-17-9-10-19-18(12-17)21(30-13-29-19)31-16-8-6-7-15(11-16)25(26,27)28/h6-14,20H,1-5H3,(H,32,34)(H,33,35)(H,29,30,31)/t20-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of c-MET (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50237553
(CHEMBL4071058)Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C21H22BrN5O3/c1-21(2,3)30-20(29)23-11-18(28)26-15-7-8-17-16(10-15)19(25-12-24-17)27-14-6-4-5-13(22)9-14/h4-10,12H,11H2,1-3H3,(H,23,29)(H,26,28)(H,24,25,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of c-MET (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237602
(CHEMBL4061283)Show SMILES CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r| Show InChI InChI=1S/C25H30BrN5O3/c1-6-15(2)21(31-24(33)34-25(3,4)5)23(32)30-18-10-11-20-19(13-18)22(28-14-27-20)29-17-9-7-8-16(26)12-17/h7-15,21H,6H2,1-5H3,(H,30,32)(H,31,33)(H,27,28,29)/t15-,21+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50237567
(CHEMBL4092491)Show SMILES CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1 |r| Show InChI InChI=1S/C25H28F3N5O3/c1-14(2)20(33-23(35)36-24(3,4)5)22(34)32-17-9-10-19-18(12-17)21(30-13-29-19)31-16-8-6-7-15(11-16)25(26,27)28/h6-14,20H,1-5H3,(H,32,34)(H,33,35)(H,29,30,31)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50237663
(CHEMBL4102666)Show SMILES C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1 |r| Show InChI InChI=1S/C23H24F3N5O3/c1-13(29-21(33)34-22(2,3)4)20(32)31-16-8-9-18-17(11-16)19(28-12-27-18)30-15-7-5-6-14(10-15)23(24,25)26/h5-13H,1-4H3,(H,29,33)(H,31,32)(H,27,28,30)/t13-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50237547
(CHEMBL4083222)Show SMILES C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r| Show InChI InChI=1S/C22H24BrN5O3/c1-13(26-21(30)31-22(2,3)4)20(29)28-16-8-9-18-17(11-16)19(25-12-24-18)27-15-7-5-6-14(23)10-15/h5-13H,1-4H3,(H,26,30)(H,28,29)(H,24,25,27)/t13-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of 1 nM AVP-induced calcium mobilisation in cells expressing human vasopressin V1a receptor |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237556
(CHEMBL4087241)Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C25H29ClFN5O3/c1-14(2)10-21(32-24(34)35-25(3,4)5)23(33)31-15-7-9-20-17(11-15)22(29-13-28-20)30-16-6-8-19(27)18(26)12-16/h6-9,11-14,21H,10H2,1-5H3,(H,31,33)(H,32,34)(H,28,29,30)/t21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237663
(CHEMBL4102666)Show SMILES C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1 |r| Show InChI InChI=1S/C23H24F3N5O3/c1-13(29-21(33)34-22(2,3)4)20(32)31-16-8-9-18-17(11-16)19(28-12-27-18)30-15-7-5-6-14(10-15)23(24,25)26/h5-13H,1-4H3,(H,29,33)(H,31,32)(H,27,28,30)/t13-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237662
(CHEMBL4077333)Show SMILES CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1 |r| Show InChI InChI=1S/C25H28F3N5O3S/c1-24(2,3)36-23(35)33-20(10-11-37-4)22(34)32-17-8-9-19-18(13-17)21(30-14-29-19)31-16-7-5-6-15(12-16)25(26,27)28/h5-9,12-14,20H,10-11H2,1-4H3,(H,32,34)(H,33,35)(H,29,30,31)/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237661
(CHEMBL4064791)Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1 |r| Show InChI InChI=1S/C26H30F3N5O3/c1-15(2)11-21(34-24(36)37-25(3,4)5)23(35)33-18-9-10-20-19(13-18)22(31-14-30-20)32-17-8-6-7-16(12-17)26(27,28)29/h6-10,12-15,21H,11H2,1-5H3,(H,33,35)(H,34,36)(H,30,31,32)/t21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237567
(CHEMBL4092491)Show SMILES CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1 |r| Show InChI InChI=1S/C25H28F3N5O3/c1-14(2)20(33-23(35)36-24(3,4)5)22(34)32-17-9-10-19-18(12-17)21(30-13-29-19)31-16-8-6-7-15(11-16)25(26,27)28/h6-14,20H,1-5H3,(H,32,34)(H,33,35)(H,29,30,31)/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237659
(CHEMBL4094922)Show SMILES CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C24H27ClFN5O3S/c1-24(2,3)34-23(33)31-20(9-10-35-4)22(32)30-14-6-8-19-16(11-14)21(28-13-27-19)29-15-5-7-18(26)17(25)12-15/h5-8,11-13,20H,9-10H2,1-4H3,(H,30,32)(H,31,33)(H,27,28,29)/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237658
(CHEMBL4074450)Show SMILES CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C25H29ClFN5O3/c1-6-14(2)21(32-24(34)35-25(3,4)5)23(33)31-15-8-10-20-17(11-15)22(29-13-28-20)30-16-7-9-19(27)18(26)12-16/h7-14,21H,6H2,1-5H3,(H,31,33)(H,32,34)(H,28,29,30)/t14-,21+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237657
(CHEMBL4065828)Show SMILES CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C24H27ClFN5O3/c1-13(2)20(31-23(33)34-24(3,4)5)22(32)30-14-7-9-19-16(10-14)21(28-12-27-19)29-15-6-8-18(26)17(25)11-15/h6-13,20H,1-5H3,(H,30,32)(H,31,33)(H,27,28,29)/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237555
(CHEMBL4080555)Show SMILES C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C22H23ClFN5O3/c1-12(27-21(31)32-22(2,3)4)20(30)29-13-6-8-18-15(9-13)19(26-11-25-18)28-14-5-7-17(24)16(23)10-14/h5-12H,1-4H3,(H,27,31)(H,29,30)(H,25,26,28)/t12-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50237555
(CHEMBL4080555)Show SMILES C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C22H23ClFN5O3/c1-12(27-21(31)32-22(2,3)4)20(30)29-13-6-8-18-15(9-13)19(26-11-25-18)28-14-5-7-17(24)16(23)10-14/h5-12H,1-4H3,(H,27,31)(H,29,30)(H,25,26,28)/t12-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237552
(CHEMBL4066232)Show SMILES Cc1cccc(C)c1Nc1ncnc2ccc(NC(=O)CNC(=O)OC(C)(C)C)cc12 Show InChI InChI=1S/C23H27N5O3/c1-14-7-6-8-15(2)20(14)28-21-17-11-16(9-10-18(17)25-13-26-21)27-19(29)12-24-22(30)31-23(3,4)5/h6-11,13H,12H2,1-5H3,(H,24,30)(H,27,29)(H,25,26,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237551
(CHEMBL4075867)Show SMILES CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r| Show InChI InChI=1S/C24H28BrN5O3S/c1-24(2,3)33-23(32)30-20(10-11-34-4)22(31)29-17-8-9-19-18(13-17)21(27-14-26-19)28-16-7-5-6-15(25)12-16/h5-9,12-14,20H,10-11H2,1-4H3,(H,29,31)(H,30,32)(H,26,27,28)/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237550
(CHEMBL4091010)Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r| Show InChI InChI=1S/C25H30BrN5O3/c1-15(2)11-21(31-24(33)34-25(3,4)5)23(32)30-18-9-10-20-19(13-18)22(28-14-27-20)29-17-8-6-7-16(26)12-17/h6-10,12-15,21H,11H2,1-5H3,(H,30,32)(H,31,33)(H,27,28,29)/t21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237671
(CHEMBL4100234)Show SMILES CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1 |r| Show InChI InChI=1S/C26H30F3N5O3/c1-6-15(2)21(34-24(36)37-25(3,4)5)23(35)33-18-10-11-20-19(13-18)22(31-14-30-20)32-17-9-7-8-16(12-17)26(27,28)29/h7-15,21H,6H2,1-5H3,(H,33,35)(H,34,36)(H,30,31,32)/t15-,21+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237547
(CHEMBL4083222)Show SMILES C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r| Show InChI InChI=1S/C22H24BrN5O3/c1-13(26-21(30)31-22(2,3)4)20(29)28-16-8-9-18-17(11-16)19(25-12-24-18)27-15-7-5-6-14(23)10-15/h5-13H,1-4H3,(H,26,30)(H,28,29)(H,24,25,27)/t13-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50237548
(CHEMBL4070037)Show SMILES CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r| Show InChI InChI=1S/C24H28BrN5O3/c1-14(2)20(30-23(32)33-24(3,4)5)22(31)29-17-9-10-19-18(12-17)21(27-13-26-19)28-16-8-6-7-15(25)11-16/h6-14,20H,1-5H3,(H,29,31)(H,30,32)(H,26,27,28)/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xuzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay |
Eur J Med Chem 130: 393-405 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ |
More data for this Ligand-Target Pair | |