Found 41 hits of Enzyme Inhibition Constant Data 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 |
|---|
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270431
(CHEMBL4076909)Show SMILES C[C@H]1Cc2c(CN1C(C)=O)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C26H23F3N6O4/c1-14-9-18-19(12-35(14)15(2)36)30-13-31-23(18)38-17-3-4-20-16(10-17)5-8-34(20)24(37)32-22-11-21(39-33-22)25(6-7-25)26(27,28)29/h3-5,8,10-11,13-14H,6-7,9,12H2,1-2H3,(H,32,33,37)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270424
(CHEMBL3746776)Show SMILES C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc([nH]n1)C1(C)CC1 |r| Show InChI InChI=1S/C24H25N7O2/c1-14-9-17-18(12-25-14)26-13-27-22(17)33-16-3-4-19-15(10-16)5-8-31(19)23(32)28-21-11-20(29-30-21)24(2)6-7-24/h3-5,8,10-11,13-14,25H,6-7,9,12H2,1-2H3,(H2,28,29,30,32)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270425
(CHEMBL4080062)Show SMILES OCc1cc(Oc2ccc3c(cccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)ncn1 Show InChI InChI=1S/C23H16F3N3O3/c24-23(25,26)15-4-2-5-16(10-15)29-22(31)20-6-1-3-14-9-18(7-8-19(14)20)32-21-11-17(12-30)27-13-28-21/h1-11,13,30H,12H2,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270430
(CHEMBL4077373)Show SMILES C[C@H]1Cc2c(CN1C(C)=O)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1CC1 |r| Show InChI InChI=1S/C25H24N6O4/c1-14-9-19-20(12-31(14)15(2)32)26-13-27-24(19)34-18-5-6-21-17(10-18)7-8-30(21)25(33)28-23-11-22(35-29-23)16-3-4-16/h5-8,10-11,13-14,16H,3-4,9,12H2,1-2H3,(H,28,29,33)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270439
(CHEMBL4104297)Show SMILES Nc1nccc(Oc2ccc3c(cccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)n1 Show InChI InChI=1S/C22H15F3N4O2/c23-22(24,25)14-4-2-5-15(12-14)28-20(30)18-6-1-3-13-11-16(7-8-17(13)18)31-19-9-10-27-21(26)29-19/h1-12H,(H,28,30)(H2,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270433
(CHEMBL4086718)Show SMILES CNCc1cc(Oc2ccc3n(ccc3c2)C(=O)Nc2cc([nH]n2)C2(C)CC2)ncn1 Show InChI InChI=1S/C22H23N7O2/c1-22(6-7-22)18-11-19(28-27-18)26-21(30)29-8-5-14-9-16(3-4-17(14)29)31-20-10-15(12-23-2)24-13-25-20/h3-5,8-11,13,23H,6-7,12H2,1-2H3,(H2,26,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173586
(CHEMBL3808921)Show SMILES C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C24H21F3N6O3/c1-13-8-16-17(11-28-13)29-12-30-21(16)35-15-2-3-18-14(9-15)4-7-33(18)22(34)31-20-10-19(36-32-20)23(5-6-23)24(25,26)27/h2-4,7,9-10,12-13,28H,5-6,8,11H2,1H3,(H,31,32,34)/t13-/m0/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270426
(CHEMBL4092692)Show SMILES CC(=O)N1CCc2c(C1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1CC1 Show InChI InChI=1S/C24H22N6O4/c1-14(31)29-8-7-18-19(12-29)25-13-26-23(18)33-17-4-5-20-16(10-17)6-9-30(20)24(32)27-22-11-21(34-28-22)15-2-3-15/h4-6,9-11,13,15H,2-3,7-8,12H2,1H3,(H,27,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270423
(CHEMBL3746562)Show SMILES CC1(CC1)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCCc45)ccc23)n[nH]1 Show InChI InChI=1S/C23H23N7O2/c1-23(6-7-23)19-11-20(29-28-19)27-22(31)30-9-5-14-10-15(2-3-18(14)30)32-21-16-4-8-24-12-17(16)25-13-26-21/h2-3,5,9-11,13,24H,4,6-8,12H2,1H3,(H2,27,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270410
(CHEMBL4064471)Show SMILES CNCc1cc(Oc2ccc3n(ccc3c2)C(=O)Nc2cc([nH]n2)C2(CC2)C(F)(F)F)ncn1 Show InChI InChI=1S/C22H20F3N7O2/c1-26-11-14-9-19(28-12-27-14)34-15-2-3-16-13(8-15)4-7-32(16)20(33)29-18-10-17(30-31-18)21(5-6-21)22(23,24)25/h2-4,7-10,12,26H,5-6,11H2,1H3,(H2,29,30,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270420
(CHEMBL4079136)Show SMILES CC(C)(CO)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)ccc23)no1 Show InChI InChI=1S/C22H22N6O4/c1-22(2,11-29)18-8-19(27-32-18)26-21(30)28-6-5-13-7-14(3-4-17(13)28)31-20-15-9-23-10-16(15)24-12-25-20/h3-8,12,23,29H,9-11H2,1-2H3,(H,26,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270409
(CHEMBL4103267)Show SMILES CNCc1cc(Oc2ccc3n(ccc3c2)C(=O)Nc2cc([nH]n2)C(C)C)ncn1 Show InChI InChI=1S/C21H23N7O2/c1-13(2)17-10-19(27-26-17)25-21(29)28-7-6-14-8-16(4-5-18(14)28)30-20-9-15(11-22-3)23-12-24-20/h4-10,12-13,22H,11H2,1-3H3,(H2,25,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270438
(CHEMBL3747273)Show SMILES CC(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)ccc23)no1 Show InChI InChI=1S/C21H20N6O3/c1-12(2)18-8-19(26-30-18)25-21(28)27-6-5-13-7-14(3-4-17(13)27)29-20-15-9-22-10-16(15)23-11-24-20/h3-8,11-12,22H,9-10H2,1-2H3,(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270428
(CHEMBL4084937)Show SMILES O=C(Nc1cc(on1)C1CC1)n1ccc2cc(Oc3ncnc4CSCc34)ccc12 Show InChI InChI=1S/C21H17N5O3S/c27-21(24-19-8-18(29-25-19)12-1-2-12)26-6-5-13-7-14(3-4-17(13)26)28-20-15-9-30-10-16(15)22-11-23-20/h3-8,11-12H,1-2,9-10H2,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270418
(CHEMBL4102438)Show SMILES FC(F)(F)C1(CC1)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)ccc23)no1 Show InChI InChI=1S/C22H17F3N6O3/c23-22(24,25)21(4-5-21)17-8-18(30-34-17)29-20(32)31-6-3-12-7-13(1-2-16(12)31)33-19-14-9-26-10-15(14)27-11-28-19/h1-3,6-8,11,26H,4-5,9-10H2,(H,29,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270430
(CHEMBL4077373)Show SMILES C[C@H]1Cc2c(CN1C(C)=O)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1CC1 |r| Show InChI InChI=1S/C25H24N6O4/c1-14-9-19-20(12-31(14)15(2)32)26-13-27-24(19)34-18-5-6-21-17(10-18)7-8-30(21)25(33)28-23-11-22(35-29-23)16-3-4-16/h5-8,10-11,13-14,16H,3-4,9,12H2,1-2H3,(H,28,29,33)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human KDR cytoplasmic domain (807 to 1356 residues) after 60 mins by TR-FRET assay |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270412
(CHEMBL4087814)Show SMILES CNCc1cc(Oc2ccc3n(ccc3c2)C(=O)Nc2cc(on2)C2(CC2)C(F)(F)F)ncn1 Show InChI InChI=1S/C22H19F3N6O3/c1-26-11-14-9-19(28-12-27-14)33-15-2-3-16-13(8-15)4-7-31(16)20(32)29-18-10-17(34-30-18)21(5-6-21)22(23,24)25/h2-4,7-10,12,26H,5-6,11H2,1H3,(H,29,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270419
(CHEMBL3746370)Show SMILES CC1(CC1)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)ccc23)no1 Show InChI InChI=1S/C22H20N6O3/c1-22(5-6-22)18-9-19(27-31-18)26-21(29)28-7-4-13-8-14(2-3-17(13)28)30-20-15-10-23-11-16(15)24-12-25-20/h2-4,7-9,12,23H,5-6,10-11H2,1H3,(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270415
(CHEMBL4077291)Show SMILES CCN1CCc2c(C1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1CC1 Show InChI InChI=1S/C24H24N6O3/c1-2-29-9-8-18-19(13-29)25-14-26-23(18)32-17-5-6-20-16(11-17)7-10-30(20)24(31)27-22-12-21(33-28-22)15-3-4-15/h5-7,10-12,14-15H,2-4,8-9,13H2,1H3,(H,27,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270429
(CHEMBL4074672)Show SMILES OCc1cc(Oc2ccc3n(ccc3c2)C(=O)Nc2cc(on2)C2CC2)ncn1 Show InChI InChI=1S/C20H17N5O4/c26-10-14-8-19(22-11-21-14)28-15-3-4-16-13(7-15)5-6-25(16)20(27)23-18-9-17(29-24-18)12-1-2-12/h3-9,11-12,26H,1-2,10H2,(H,23,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270413
(CHEMBL4097955)Show SMILES CNCc1cc(Oc2ccc3n(ccc3c2)C(=O)Nc2cc(on2)C2(C)CC2)ncn1 Show InChI InChI=1S/C22H22N6O3/c1-22(6-7-22)18-11-19(27-31-18)26-21(29)28-8-5-14-9-16(3-4-17(14)28)30-20-10-15(12-23-2)24-13-25-20/h3-5,8-11,13,23H,6-7,12H2,1-2H3,(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270427
(CHEMBL4065008)Show SMILES CC(=O)N1Cc2ncnc(Oc3ccc4n(ccc4c3)C(=O)Nc3cc(on3)C3CC3)c2C1 Show InChI InChI=1S/C23H20N6O4/c1-13(30)28-10-17-18(11-28)24-12-25-22(17)32-16-4-5-19-15(8-16)6-7-29(19)23(31)26-21-9-20(33-27-21)14-2-3-14/h4-9,12,14H,2-3,10-11H2,1H3,(H,26,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270411
(CHEMBL3747063)Show SMILES CNCc1cc(Oc2ccc3n(ccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)ncn1 Show InChI InChI=1S/C22H18F3N5O2/c1-26-12-17-11-20(28-13-27-17)32-18-5-6-19-14(9-18)7-8-30(19)21(31)29-16-4-2-3-15(10-16)22(23,24)25/h2-11,13,26H,12H2,1H3,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270437
(CHEMBL4103383)Show SMILES O=C(Nc1cc(on1)C1CCOCC1)n1ccc2cc(Oc3ncnc4CNCc34)ccc12 Show InChI InChI=1S/C23H22N6O4/c30-23(27-21-10-20(33-28-21)14-4-7-31-8-5-14)29-6-3-15-9-16(1-2-19(15)29)32-22-17-11-24-12-18(17)25-13-26-22/h1-3,6,9-10,13-14,24H,4-5,7-8,11-12H2,(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270440
(CHEMBL4102888)Show SMILES O=C(Nc1cc(on1)C1CC1)n1ccc2cc(Oc3cc(Cn4ncnn4)ncn3)ccc12 Show InChI InChI=1S/C21H17N9O3/c31-21(26-19-9-18(33-27-19)13-1-2-13)29-6-5-14-7-16(3-4-17(14)29)32-20-8-15(22-11-23-20)10-30-25-12-24-28-30/h3-9,11-13H,1-2,10H2,(H,26,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270432
(CHEMBL4076112)Show SMILES CNCc1cc(Oc2ccc3n(ccc3c2)C(=O)Nc2cc(n(C)n2)C(F)(F)F)ncn1 Show InChI InChI=1S/C20H18F3N7O2/c1-24-10-13-8-18(26-11-25-13)32-14-3-4-15-12(7-14)5-6-30(15)19(31)27-17-9-16(20(21,22)23)29(2)28-17/h3-9,11,24H,10H2,1-2H3,(H,27,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270436
(CHEMBL4100555)Show SMILES OCC1(CC1)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)ccc23)no1 Show InChI InChI=1S/C22H20N6O4/c29-11-22(4-5-22)18-8-19(27-32-18)26-21(30)28-6-3-13-7-14(1-2-17(13)28)31-20-15-9-23-10-16(15)24-12-25-20/h1-3,6-8,12,23,29H,4-5,9-11H2,(H,26,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270434
(CHEMBL4079937)Show SMILES CNCc1cc(Oc2ccc3n(ccc3c2)C(=O)Nc2cc(on2)C(C)C)ncn1 Show InChI InChI=1S/C21H22N6O3/c1-13(2)18-10-19(26-30-18)25-21(28)27-7-6-14-8-16(4-5-17(14)27)29-20-9-15(11-22-3)23-12-24-20/h4-10,12-13,22H,11H2,1-3H3,(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270422
(CHEMBL3746122)Show SMILES O=C(Nc1cc(on1)C1CC1)n1ccc2cc(Oc3ncnc4CNCc34)ccc12 Show InChI InChI=1S/C21H18N6O3/c28-21(25-19-8-18(30-26-19)12-1-2-12)27-6-5-13-7-14(3-4-17(13)27)29-20-15-9-22-10-16(15)23-11-24-20/h3-8,11-12,22H,1-2,9-10H2,(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173601
(CHEMBL3745816)Show SMILES CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)ccc23)no1 Show InChI InChI=1S/C22H22N6O3/c1-22(2,3)18-9-19(27-31-18)26-21(29)28-7-6-13-8-14(4-5-17(13)28)30-20-15-10-23-11-16(15)24-12-25-20/h4-9,12,23H,10-11H2,1-3H3,(H,26,27,29) | 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 | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270414
(CHEMBL4079318)Show SMILES C[C@@H]1Cc2c(CN1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1CC1 |r| Show InChI InChI=1S/C23H22N6O3/c1-13-8-17-18(11-24-13)25-12-26-22(17)31-16-4-5-19-15(9-16)6-7-29(19)23(30)27-21-10-20(32-28-21)14-2-3-14/h4-7,9-10,12-14,24H,2-3,8,11H2,1H3,(H,27,28,30)/t13-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270435
(CHEMBL4079917)Show SMILES C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1CC1 |r| Show InChI InChI=1S/C23H22N6O3/c1-13-8-17-18(11-24-13)25-12-26-22(17)31-16-4-5-19-15(9-16)6-7-29(19)23(30)27-21-10-20(32-28-21)14-2-3-14/h4-7,9-10,12-14,24H,2-3,8,11H2,1H3,(H,27,28,30)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270417
(CHEMBL4065713)Show SMILES O=C(Nc1cc(on1)C1CC1)n1ccc2cc(Oc3ncnc4CNCCc34)ccc12 Show InChI InChI=1S/C22H20N6O3/c29-22(26-20-10-19(31-27-20)13-1-2-13)28-8-6-14-9-15(3-4-18(14)28)30-21-16-5-7-23-11-17(16)24-12-25-21/h3-4,6,8-10,12-13,23H,1-2,5,7,11H2,(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270416
(CHEMBL4068360)Show SMILES CNCc1cc(Oc2ccc3n(ccc3c2)C(=O)Nc2cc(on2)C2CC2)ncn1 Show InChI InChI=1S/C21H20N6O3/c1-22-11-15-9-20(24-12-23-15)29-16-4-5-17-14(8-16)6-7-27(17)21(28)25-19-10-18(30-26-19)13-2-3-13/h4-10,12-13,22H,2-3,11H2,1H3,(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270408
(CHEMBL4079003)Show SMILES CNCc1cc(Oc2ccc3n(ccc3c2)C(=O)Nc2cc([nH]n2)C(F)(F)F)ncn1 Show InChI InChI=1S/C19H16F3N7O2/c1-23-9-12-7-17(25-10-24-12)31-13-2-3-14-11(6-13)4-5-29(14)18(30)26-16-8-15(27-28-16)19(20,21)22/h2-8,10,23H,9H2,1H3,(H2,26,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 273 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50270430
(CHEMBL4077373)Show SMILES C[C@H]1Cc2c(CN1C(C)=O)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1CC1 |r| Show InChI InChI=1S/C25H24N6O4/c1-14-9-19-20(12-31(14)15(2)32)26-13-27-24(19)34-18-5-6-21-17(10-18)7-8-30(21)25(33)28-23-11-22(35-29-23)16-3-4-16/h5-8,10-11,13-14,16H,3-4,9,12H2,1-2H3,(H,28,29,33)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human KIT |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50270430
(CHEMBL4077373)Show SMILES C[C@H]1Cc2c(CN1C(C)=O)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1CC1 |r| Show InChI InChI=1S/C25H24N6O4/c1-14-9-19-20(12-31(14)15(2)32)26-13-27-24(19)34-18-5-6-21-17(10-18)7-8-30(21)25(33)28-23-11-22(35-29-23)16-3-4-16/h5-8,10-11,13-14,16H,3-4,9,12H2,1-2H3,(H,28,29,33)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human LYN |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50270430
(CHEMBL4077373)Show SMILES C[C@H]1Cc2c(CN1C(C)=O)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1CC1 |r| Show InChI InChI=1S/C25H24N6O4/c1-14-9-19-20(12-31(14)15(2)32)26-13-27-24(19)34-18-5-6-21-17(10-18)7-8-30(21)25(33)28-23-11-22(35-29-23)16-3-4-16/h5-8,10-11,13-14,16H,3-4,9,12H2,1-2H3,(H,28,29,33)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human ABL |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50270430
(CHEMBL4077373)Show SMILES C[C@H]1Cc2c(CN1C(C)=O)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1CC1 |r| Show InChI InChI=1S/C25H24N6O4/c1-14-9-19-20(12-31(14)15(2)32)26-13-27-24(19)34-18-5-6-21-17(10-18)7-8-30(21)25(33)28-23-11-22(35-29-23)16-3-4-16/h5-8,10-11,13-14,16H,3-4,9,12H2,1-2H3,(H,28,29,33)/t14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human PDGFRalpha |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50270430
(CHEMBL4077373)Show SMILES C[C@H]1Cc2c(CN1C(C)=O)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1CC1 |r| Show InChI InChI=1S/C25H24N6O4/c1-14-9-19-20(12-31(14)15(2)32)26-13-27-24(19)34-18-5-6-21-17(10-18)7-8-30(21)25(33)28-23-11-22(35-29-23)16-3-4-16/h5-8,10-11,13-14,16H,3-4,9,12H2,1-2H3,(H,28,29,33)/t14-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human RET |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270421
(CHEMBL4086998)Show SMILES Cc1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)ccc23)no1 Show InChI InChI=1S/C19H16N6O3/c1-11-6-17(24-28-11)23-19(26)25-5-4-12-7-13(2-3-16(12)25)27-18-14-8-20-9-15(14)21-10-22-18/h2-7,10,20H,8-9H2,1H3,(H,23,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells |
J Med Chem 61: 1622-1635 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM |
More data for this
Ligand-Target Pair | |
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