Found 27 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)) | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of Tel fused KDR (unknown origin) expressed in BaF3 cells |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173588
(CHEMBL3808957)Show SMILES CC(C)(C)c1cc(NC(=O)n2ccc3ccc(Oc4ncnc5CNCc45)cc23)no1 Show InChI InChI=1S/C22H22N6O3/c1-22(2,3)18-9-19(27-31-18)26-21(29)28-7-6-13-4-5-14(8-17(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 | 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 Tel fused KDR (unknown origin) expressed in BaF3 cells |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173590
(CHEMBL3808653)Show SMILES CC(C)(C)c1cc(NC(=O)n2ccc3nc(Oc4ncnc5CNCc45)ccc23)no1 Show InChI InChI=1S/C21H21N7O3/c1-21(2,3)16-8-17(27-31-16)26-20(29)28-7-6-13-15(28)4-5-18(25-13)30-19-12-9-22-10-14(12)23-11-24-19/h4-8,11,22H,9-10H2,1-3H3,(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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of Tel fused KDR (unknown origin) expressed in BaF3 cells |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173584
(CHEMBL3810154)Show SMILES CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)cnc23)no1 Show InChI InChI=1S/C21H21N7O3/c1-21(2,3)16-7-17(27-31-16)26-20(29)28-5-4-12-6-13(8-23-18(12)28)30-19-14-9-22-10-15(14)24-11-25-19/h4-8,11,22H,9-10H2,1-3H3,(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 | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of Tel fused KDR (unknown origin) expressed in BaF3 cells |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
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 | 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) |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173588
(CHEMBL3808957)Show SMILES CC(C)(C)c1cc(NC(=O)n2ccc3ccc(Oc4ncnc5CNCc45)cc23)no1 Show InChI InChI=1S/C22H22N6O3/c1-22(2,3)18-9-19(27-31-18)26-21(29)28-7-6-13-4-5-14(8-17(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 | 48 | 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) |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173591
(CHEMBL3809144)Show SMILES CC1(CC1)c1cc(NC(=O)c2ccn3cc(Oc4ncnc5CNCc45)ccc23)n[nH]1 Show InChI InChI=1S/C22H21N7O2/c1-22(5-6-22)18-8-19(28-27-18)26-20(30)14-4-7-29-11-13(2-3-17(14)29)31-21-15-9-23-10-16(15)24-12-25-21/h2-4,7-8,11-12,23H,5-6,9-10H2,1H3,(H2,26,27,28,30) | 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 | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of Tel fused KDR (unknown origin) expressed in BaF3 cells |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173589
(CHEMBL3809754)Show SMILES CC(C)(C)c1cc(NC(=O)n2ccc3ncc(Oc4ncnc5CNCc45)cc23)no1 Show InChI InChI=1S/C21H21N7O3/c1-21(2,3)17-7-18(27-31-17)26-20(29)28-5-4-14-16(28)6-12(8-23-14)30-19-13-9-22-10-15(13)24-11-25-19/h4-8,11,22H,9-10H2,1-3H3,(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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of Tel fused KDR (unknown origin) expressed in BaF3 cells |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173591
(CHEMBL3809144)Show SMILES CC1(CC1)c1cc(NC(=O)c2ccn3cc(Oc4ncnc5CNCc45)ccc23)n[nH]1 Show InChI InChI=1S/C22H21N7O2/c1-22(5-6-22)18-8-19(28-27-18)26-20(30)14-4-7-29-11-13(2-3-17(14)29)31-21-15-9-23-10-16(15)24-12-25-21/h2-4,7-8,11-12,23H,5-6,9-10H2,1H3,(H2,26,27,28,30) | 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 | 55 | 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) |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173584
(CHEMBL3810154)Show SMILES CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)cnc23)no1 Show InChI InChI=1S/C21H21N7O3/c1-21(2,3)16-7-17(27-31-16)26-20(29)28-5-4-12-6-13(8-23-18(12)28)30-19-14-9-22-10-15(14)24-11-25-19/h4-8,11,22H,9-10H2,1-3H3,(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 | 77 | 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) |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173583
(CHEMBL3808450)Show SMILES CC(C)(C)c1cc(NC(=O)c2cnc3cc(Oc4ncnc5CNCc45)ccn23)no1 Show InChI InChI=1S/C21H21N7O3/c1-21(2,3)16-7-17(27-31-16)26-19(29)15-10-23-18-6-12(4-5-28(15)18)30-20-13-8-22-9-14(13)24-11-25-20/h4-7,10-11,22H,8-9H2,1-3H3,(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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of Tel fused KDR (unknown origin) expressed in BaF3 cells |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173583
(CHEMBL3808450)Show SMILES CC(C)(C)c1cc(NC(=O)c2cnc3cc(Oc4ncnc5CNCc45)ccn23)no1 Show InChI InChI=1S/C21H21N7O3/c1-21(2,3)16-7-17(27-31-16)26-19(29)15-10-23-18-6-12(4-5-28(15)18)30-20-13-8-22-9-14(13)24-11-25-20/h4-7,10-11,22H,8-9H2,1-3H3,(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 | 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) |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173587
(CHEMBL3809643)Show SMILES C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2ccn(C(=O)Nc3cc(on3)C3(CC3)C(F)(F)F)c2c1 |r| Show InChI InChI=1S/C24H21F3N6O3/c1-13-8-16-17(11-28-13)29-12-30-21(16)35-15-3-2-14-4-7-33(18(14)9-15)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 | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of Tel fused KDR (unknown origin) expressed in BaF3 cells |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173590
(CHEMBL3808653)Show SMILES CC(C)(C)c1cc(NC(=O)n2ccc3nc(Oc4ncnc5CNCc45)ccc23)no1 Show InChI InChI=1S/C21H21N7O3/c1-21(2,3)16-8-17(27-31-16)26-20(29)28-7-6-13-15(28)4-5-18(25-13)30-19-12-9-22-10-14(12)23-11-24-19/h4-8,11,22H,9-10H2,1-3H3,(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 | 160 | 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) |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173587
(CHEMBL3809643)Show SMILES C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2ccn(C(=O)Nc3cc(on3)C3(CC3)C(F)(F)F)c2c1 |r| Show InChI InChI=1S/C24H21F3N6O3/c1-13-8-16-17(11-28-13)29-12-30-21(16)35-15-3-2-14-4-7-33(18(14)9-15)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 | 160 | 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) |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173589
(CHEMBL3809754)Show SMILES CC(C)(C)c1cc(NC(=O)n2ccc3ncc(Oc4ncnc5CNCc45)cc23)no1 Show InChI InChI=1S/C21H21N7O3/c1-21(2,3)17-7-18(27-31-17)26-20(29)28-5-4-14-16(28)6-12(8-23-14)30-19-13-9-22-10-15(13)24-11-25-19/h4-8,11,22H,9-10H2,1-3H3,(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 | 450 | 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) |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173585
(CHEMBL3810135)Show SMILES CC(C)(C)c1cc(NC(=O)n2ncc3cc(Oc4ncnc5CNCc45)ccc23)no1 Show InChI InChI=1S/C21H21N7O3/c1-21(2,3)17-7-18(27-31-17)26-20(29)28-16-5-4-13(6-12(16)8-25-28)30-19-14-9-22-10-15(14)23-11-24-19/h4-8,11,22H,9-10H2,1-3H3,(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 | 2.30E+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) |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50173585
(CHEMBL3810135)Show SMILES CC(C)(C)c1cc(NC(=O)n2ncc3cc(Oc4ncnc5CNCc45)ccc23)no1 Show InChI InChI=1S/C21H21N7O3/c1-21(2,3)17-7-18(27-31-17)26-20(29)28-16-5-4-13(6-12(16)8-25-28)30-19-14-9-22-10-15(14)23-11-24-19/h4-8,11,22H,9-10H2,1-3H3,(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 | 4.40E+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 Tel fused KDR (unknown origin) expressed in BaF3 cells |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50173584
(CHEMBL3810154)Show SMILES CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)cnc23)no1 Show InChI InChI=1S/C21H21N7O3/c1-21(2,3)16-7-17(27-31-16)26-20(29)28-5-4-12-6-13(8-23-18(12)28)30-19-14-9-22-10-15(14)24-11-25-19/h4-8,11,22H,9-10H2,1-3H3,(H,26,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand binding assay |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 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
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand binding assay |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50173585
(CHEMBL3810135)Show SMILES CC(C)(C)c1cc(NC(=O)n2ncc3cc(Oc4ncnc5CNCc45)ccc23)no1 Show InChI InChI=1S/C21H21N7O3/c1-21(2,3)17-7-18(27-31-17)26-20(29)28-16-5-4-13(6-12(16)8-25-28)30-19-14-9-22-10-15(14)23-11-24-19/h4-8,11,22H,9-10H2,1-3H3,(H,26,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand binding assay |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50173587
(CHEMBL3809643)Show SMILES C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2ccn(C(=O)Nc3cc(on3)C3(CC3)C(F)(F)F)c2c1 |r| Show InChI InChI=1S/C24H21F3N6O3/c1-13-8-16-17(11-28-13)29-12-30-21(16)35-15-3-2-14-4-7-33(18(14)9-15)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
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand binding assay |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50173583
(CHEMBL3808450)Show SMILES CC(C)(C)c1cc(NC(=O)c2cnc3cc(Oc4ncnc5CNCc45)ccn23)no1 Show InChI InChI=1S/C21H21N7O3/c1-21(2,3)16-7-17(27-31-16)26-19(29)15-10-23-18-6-12(4-5-28(15)18)30-20-13-8-22-9-14(13)24-11-25-20/h4-7,10-11,22H,8-9H2,1-3H3,(H,26,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand binding assay |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50173588
(CHEMBL3808957)Show SMILES CC(C)(C)c1cc(NC(=O)n2ccc3ccc(Oc4ncnc5CNCc45)cc23)no1 Show InChI InChI=1S/C22H22N6O3/c1-22(2,3)18-9-19(27-31-18)26-21(29)28-7-6-13-4-5-14(8-17(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
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand binding assay |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50173590
(CHEMBL3808653)Show SMILES CC(C)(C)c1cc(NC(=O)n2ccc3nc(Oc4ncnc5CNCc45)ccc23)no1 Show InChI InChI=1S/C21H21N7O3/c1-21(2,3)16-8-17(27-31-16)26-20(29)28-7-6-13-15(28)4-5-18(25-13)30-19-12-9-22-10-14(12)23-11-24-19/h4-8,11,22H,9-10H2,1-3H3,(H,26,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand binding assay |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50173591
(CHEMBL3809144)Show SMILES CC1(CC1)c1cc(NC(=O)c2ccn3cc(Oc4ncnc5CNCc45)ccc23)n[nH]1 Show InChI InChI=1S/C22H21N7O2/c1-22(5-6-22)18-8-19(28-27-18)26-20(30)14-4-7-29-11-13(2-3-17(14)29)31-21-15-9-23-10-16(15)24-12-25-21/h2-4,7-8,11-12,23H,5-6,9-10H2,1H3,(H2,26,27,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand binding assay |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50173589
(CHEMBL3809754)Show SMILES CC(C)(C)c1cc(NC(=O)n2ccc3ncc(Oc4ncnc5CNCc45)cc23)no1 Show InChI InChI=1S/C21H21N7O3/c1-21(2,3)17-7-18(27-31-17)26-20(29)28-5-4-14-16(28)6-12(8-23-14)30-19-13-9-22-10-15(13)24-11-25-19/h4-8,11,22H,9-10H2,1-3H3,(H,26,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand binding assay |
ACS Med Chem Lett 7: 357-62 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00018
BindingDB Entry DOI: 10.7270/Q2862JCG |
More data for this
Ligand-Target Pair | |
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