Found 91 hits Enz. Inhib. hit(s) with all data for entry = 50001545 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)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 (unknown origin) using Poly E4Y1 substrate after 1 hr by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283033
(CHEMBL4160854)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(Br)ccc4OC(F)(F)F)cc3)c12 Show InChI InChI=1S/C21H15BrF3N5OS/c22-12-6-9-17(31-21(23,24)25)16(10-12)28-20(32)27-13-7-4-11(5-8-13)14-2-1-3-15-18(14)19(26)30-29-15/h1-10H,(H3,26,29,30)(H2,27,28,32) | PDB
MMDB
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 |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition constant was determined against HIV-1 protease |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50283033
(CHEMBL4160854)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(Br)ccc4OC(F)(F)F)cc3)c12 Show InChI InChI=1S/C21H15BrF3N5OS/c22-12-6-9-17(31-21(23,24)25)16(10-12)28-20(32)27-13-7-4-11(5-8-13)14-2-1-3-15-18(14)19(26)30-29-15/h1-10H,(H3,26,29,30)(H2,27,28,32) | 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 | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50283033
(CHEMBL4160854)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(Br)ccc4OC(F)(F)F)cc3)c12 Show InChI InChI=1S/C21H15BrF3N5OS/c22-12-6-9-17(31-21(23,24)25)16(10-12)28-20(32)27-13-7-4-11(5-8-13)14-2-1-3-15-18(14)19(26)30-29-15/h1-10H,(H3,26,29,30)(H2,27,28,32) | 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 | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EPHB4 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283268
(CHEMBL4168788)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(OC(F)(F)F)ccc4Br)cc3)c12 Show InChI InChI=1S/C21H15BrF3N5OS/c22-15-9-8-13(31-21(23,24)25)10-17(15)28-20(32)27-12-6-4-11(5-7-12)14-2-1-3-16-18(14)19(26)30-29-16/h1-10H,(H3,26,29,30)(H2,27,28,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50283270
(CHEMBL4165320)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)ccc1Cl Show InChI InChI=1S/C22H16ClF3N4O2/c1-2-20(31)30-19-5-3-4-18(29-19)13-6-8-14(9-7-13)27-21(32)28-15-10-11-17(23)16(12-15)22(24,25)26/h2-12H,1H2,(H2,27,28,32)(H,29,30,31) | 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 | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 (unknown origin) using Poly E4Y1 substrate after 1 hr by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50283259
(CHEMBL4160813)Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)cc1Cl Show InChI InChI=1S/C22H19ClN4O2/c1-3-21(28)27-20-6-4-5-19(26-20)15-8-11-16(12-9-15)24-22(29)25-17-10-7-14(2)18(23)13-17/h3-13H,1H2,2H3,(H2,24,25,29)(H,26,27,28) | 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 | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 (unknown origin) using Poly E4Y1 substrate after 1 hr by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50283270
(CHEMBL4165320)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)ccc1Cl Show InChI InChI=1S/C22H16ClF3N4O2/c1-2-20(31)30-19-5-3-4-18(29-19)13-6-8-14(9-7-13)27-21(32)28-15-10-11-17(23)16(12-15)22(24,25)26/h2-12H,1H2,(H2,27,28,32)(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EPHB4 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50283259
(CHEMBL4160813)Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)cc1Cl Show InChI InChI=1S/C22H19ClN4O2/c1-3-21(28)27-20-6-4-5-19(26-20)15-8-11-16(12-9-15)24-22(29)25-17-10-7-14(2)18(23)13-17/h3-13H,1H2,2H3,(H2,24,25,29)(H,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EPHB4 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50283076
(CHEMBL4175943)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(Cl)c(Cl)c4)cc3)c12 Show InChI InChI=1S/C20H15Cl2N5S/c21-15-9-8-13(10-16(15)22)25-20(28)24-12-6-4-11(5-7-12)14-2-1-3-17-18(14)19(23)27-26-17/h1-10H,(H3,23,26,27)(H2,24,25,28) | 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 | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 (unknown origin) using Poly E4Y1 substrate after 1 hr by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition constant was determined against HIV-1 protease |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50283268
(CHEMBL4168788)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(OC(F)(F)F)ccc4Br)cc3)c12 Show InChI InChI=1S/C21H15BrF3N5OS/c22-15-9-8-13(31-21(23,24)25)10-17(15)28-20(32)27-12-6-4-11(5-7-12)14-2-1-3-16-18(14)19(26)30-29-16/h1-10H,(H3,26,29,30)(H2,27,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283272
(CHEMBL4172089)Show SMILES Clc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccc(NC(=O)C=C)n1 Show InChI InChI=1S/C21H17ClN4O2/c1-2-20(27)26-19-9-5-8-17(24-19)14-10-12-15(13-11-14)23-21(28)25-18-7-4-3-6-16(18)22/h2-13H,1H2,(H2,23,25,28)(H,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50283263
(CHEMBL4174374)Show SMILES Fc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccc(NC(=O)C=C)n1 Show InChI InChI=1S/C21H17FN4O2/c1-2-20(27)26-19-9-5-8-17(24-19)14-10-12-15(13-11-14)23-21(28)25-18-7-4-3-6-16(18)22/h2-13H,1H2,(H2,23,25,28)(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 (unknown origin) using Poly E4Y1 substrate after 1 hr by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50283268
(CHEMBL4168788)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(OC(F)(F)F)ccc4Br)cc3)c12 Show InChI InChI=1S/C21H15BrF3N5OS/c22-15-9-8-13(31-21(23,24)25)10-17(15)28-20(32)27-12-6-4-11(5-7-12)14-2-1-3-16-18(14)19(26)30-29-16/h1-10H,(H3,26,29,30)(H2,27,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EPHB4 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50283271
(CHEMBL4164213)Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C25H26N4O2/c1-5-23(30)29-22-8-6-7-21(28-22)17-9-13-19(14-10-17)26-24(31)27-20-15-11-18(12-16-20)25(2,3)4/h5-16H,1H2,2-4H3,(H2,26,27,31)(H,28,29,30) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 (unknown origin) using Poly E4Y1 substrate after 1 hr by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283270
(CHEMBL4165320)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)ccc1Cl Show InChI InChI=1S/C22H16ClF3N4O2/c1-2-20(31)30-19-5-3-4-18(29-19)13-6-8-14(9-7-13)27-21(32)28-15-10-11-17(23)16(12-15)22(24,25)26/h2-12H,1H2,(H2,27,28,32)(H,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283259
(CHEMBL4160813)Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)cc1Cl Show InChI InChI=1S/C22H19ClN4O2/c1-3-21(28)27-20-6-4-5-19(26-20)15-8-11-16(12-9-15)24-22(29)25-17-10-7-14(2)18(23)13-17/h3-13H,1H2,2H3,(H2,24,25,29)(H,26,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50283263
(CHEMBL4174374)Show SMILES Fc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccc(NC(=O)C=C)n1 Show InChI InChI=1S/C21H17FN4O2/c1-2-20(27)26-19-9-5-8-17(24-19)14-10-12-15(13-11-14)23-21(28)25-18-7-4-3-6-16(18)22/h2-13H,1H2,(H2,23,25,28)(H,24,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE) |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50283079
(CHEMBL4167759)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(F)c(F)c4)cc3)c12 Show InChI InChI=1S/C20H15F2N5S/c21-15-9-8-13(10-16(15)22)25-20(28)24-12-6-4-11(5-7-12)14-2-1-3-17-18(14)19(23)27-26-17/h1-10H,(H3,23,26,27)(H2,24,25,28) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EPHB4 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283076
(CHEMBL4175943)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(Cl)c(Cl)c4)cc3)c12 Show InChI InChI=1S/C20H15Cl2N5S/c21-15-9-8-13(10-16(15)22)25-20(28)24-12-6-4-11(5-7-12)14-2-1-3-17-18(14)19(23)27-26-17/h1-10H,(H3,23,26,27)(H2,24,25,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50283076
(CHEMBL4175943)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(Cl)c(Cl)c4)cc3)c12 Show InChI InChI=1S/C20H15Cl2N5S/c21-15-9-8-13(10-16(15)22)25-20(28)24-12-6-4-11(5-7-12)14-2-1-3-17-18(14)19(23)27-26-17/h1-10H,(H3,23,26,27)(H2,24,25,28) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EPHB4 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283263
(CHEMBL4174374)Show SMILES Fc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccc(NC(=O)C=C)n1 Show InChI InChI=1S/C21H17FN4O2/c1-2-20(27)26-19-9-5-8-17(24-19)14-10-12-15(13-11-14)23-21(28)25-18-7-4-3-6-16(18)22/h2-13H,1H2,(H2,23,25,28)(H,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibitory activity against thymidylate synthase (TS) |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50283261
(CHEMBL4159244)Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c1 Show InChI InChI=1S/C22H17F3N4O2/c1-2-20(30)29-19-8-4-7-18(28-19)14-9-11-16(12-10-14)26-21(31)27-17-6-3-5-15(13-17)22(23,24)25/h2-13H,1H2,(H2,26,27,31)(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 (unknown origin) using Poly E4Y1 substrate after 1 hr by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50283079
(CHEMBL4167759)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(F)c(F)c4)cc3)c12 Show InChI InChI=1S/C20H15F2N5S/c21-15-9-8-13(10-16(15)22)25-20(28)24-12-6-4-11(5-7-12)14-2-1-3-17-18(14)19(23)27-26-17/h1-10H,(H3,23,26,27)(H2,24,25,28) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 (unknown origin) using Poly E4Y1 substrate after 1 hr by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50283033
(CHEMBL4160854)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(Br)ccc4OC(F)(F)F)cc3)c12 Show InChI InChI=1S/C21H15BrF3N5OS/c22-12-6-9-17(31-21(23,24)25)16(10-12)28-20(32)27-13-7-4-11(5-8-13)14-2-1-3-15-18(14)19(26)30-29-15/h1-10H,(H3,26,29,30)(H2,27,28,32) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Antagonistic ability of angiotensin II to contract rabbit aorta |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283269
(CHEMBL4175949)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(Cl)cc4Cl)cc3)c12 Show InChI InChI=1S/C20H15Cl2N5S/c21-12-6-9-16(15(22)10-12)25-20(28)24-13-7-4-11(5-8-13)14-2-1-3-17-18(14)19(23)27-26-17/h1-10H,(H3,23,26,27)(H2,24,25,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50283269
(CHEMBL4175949)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(Cl)cc4Cl)cc3)c12 Show InChI InChI=1S/C20H15Cl2N5S/c21-12-6-9-16(15(22)10-12)25-20(28)24-13-7-4-11(5-8-13)14-2-1-3-17-18(14)19(23)27-26-17/h1-10H,(H3,23,26,27)(H2,24,25,28) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EPHB4 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283044
(CHEMBL4167570)Show SMILES O=C(Nc1ccc(cc1)-c1ccc2c(c1)[nH]cnc2=O)C1(CCC1)C(=O)Nc1cccc(c1)C#C Show InChI InChI=1S/C28H22N4O3/c1-2-18-5-3-6-22(15-18)32-27(35)28(13-4-14-28)26(34)31-21-10-7-19(8-11-21)20-9-12-23-24(16-20)29-17-30-25(23)33/h1,3,5-12,15-17H,4,13-14H2,(H,31,34)(H,32,35)(H,29,30,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283275
(CHEMBL4160431)Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c(Cl)c1 Show InChI InChI=1S/C21H16Cl2N4O2/c1-2-20(28)27-19-5-3-4-17(25-19)13-6-9-15(10-7-13)24-21(29)26-18-11-8-14(22)12-16(18)23/h2-12H,1H2,(H2,24,26,29)(H,25,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50283033
(CHEMBL4160854)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(Br)ccc4OC(F)(F)F)cc3)c12 Show InChI InChI=1S/C21H15BrF3N5OS/c22-12-6-9-17(31-21(23,24)25)16(10-12)28-20(32)27-13-7-4-11(5-8-13)14-2-1-3-15-18(14)19(26)30-29-15/h1-10H,(H3,26,29,30)(H2,27,28,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR1 (unknown origin) |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50283269
(CHEMBL4175949)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(Cl)cc4Cl)cc3)c12 Show InChI InChI=1S/C20H15Cl2N5S/c21-12-6-9-16(15(22)10-12)25-20(28)24-13-7-4-11(5-8-13)14-2-1-3-17-18(14)19(23)27-26-17/h1-10H,(H3,23,26,27)(H2,24,25,28) | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 (unknown origin) using Poly E4Y1 substrate after 1 hr by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283079
(CHEMBL4167759)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(F)c(F)c4)cc3)c12 Show InChI InChI=1S/C20H15F2N5S/c21-15-9-8-13(10-16(15)22)25-20(28)24-12-6-4-11(5-7-12)14-2-1-3-17-18(14)19(23)27-26-17/h1-10H,(H3,23,26,27)(H2,24,25,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50282989
(CHEMBL4161287)Show SMILES Cc1ccc(NC(=O)C2(CCC2)C(=O)Nc2ccc(cc2)-c2ccc3c(c2)[nH]cnc3=O)cc1Cl Show InChI InChI=1S/C27H23ClN4O3/c1-16-3-7-20(14-22(16)28)32-26(35)27(11-2-12-27)25(34)31-19-8-4-17(5-9-19)18-6-10-21-23(13-18)29-15-30-24(21)33/h3-10,13-15H,2,11-12H2,1H3,(H,31,34)(H,32,35)(H,29,30,33) | 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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 (unknown origin) using Poly E4Y1 substrate after 1 hr by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283273
(CHEMBL4175530)Show SMILES Clc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c1 Show InChI InChI=1S/C21H17ClN4O2/c1-2-20(27)26-19-8-4-7-18(25-19)14-9-11-16(12-10-14)23-21(28)24-17-6-3-5-15(22)13-17/h2-13H,1H2,(H2,23,24,28)(H,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283264
(CHEMBL4166465)Show SMILES Fc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c1 Show InChI InChI=1S/C21H17FN4O2/c1-2-20(27)26-19-8-4-7-18(25-19)14-9-11-16(12-10-14)23-21(28)24-17-6-3-5-15(22)13-17/h2-13H,1H2,(H2,23,24,28)(H,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibitory activity against thymidylate synthase (TS) |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50283033
(CHEMBL4160854)Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(Br)ccc4OC(F)(F)F)cc3)c12 Show InChI InChI=1S/C21H15BrF3N5OS/c22-12-6-9-17(31-21(23,24)25)16(10-12)28-20(32)27-13-7-4-11(5-8-13)14-2-1-3-15-18(14)19(26)30-29-15/h1-10H,(H3,26,29,30)(H2,27,28,32) | PDB
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR3 (unknown origin) |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50282988
(CHEMBL4164800)Show SMILES Fc1cccc(NC(=O)C2(CCC2)C(=O)Nc2ccc(cc2)-c2ccc3c(c2)[nH]cnc3=O)c1 Show InChI InChI=1S/C26H21FN4O3/c27-18-3-1-4-20(14-18)31-25(34)26(11-2-12-26)24(33)30-19-8-5-16(6-9-19)17-7-10-21-22(13-17)28-15-29-23(21)32/h1,3-10,13-15H,2,11-12H2,(H,30,33)(H,31,34)(H,28,29,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50283272
(CHEMBL4172089)Show SMILES Clc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccc(NC(=O)C=C)n1 Show InChI InChI=1S/C21H17ClN4O2/c1-2-20(27)26-19-9-5-8-17(24-19)14-10-12-15(13-11-14)23-21(28)25-18-7-4-3-6-16(18)22/h2-13H,1H2,(H2,23,25,28)(H,24,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EPHB4 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283267
(CHEMBL4169220)Show SMILES Cc1cc(Br)ccc1NC(=O)C1(CCC1)C(=O)Nc1ccc(cc1)-c1ccc2c(c1)[nH]cnc2=O Show InChI InChI=1S/C27H23BrN4O3/c1-16-13-19(28)6-10-22(16)32-26(35)27(11-2-12-27)25(34)31-20-7-3-17(4-8-20)18-5-9-21-23(14-18)29-15-30-24(21)33/h3-10,13-15H,2,11-12H2,1H3,(H,31,34)(H,32,35)(H,29,30,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283271
(CHEMBL4164213)Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C25H26N4O2/c1-5-23(30)29-22-8-6-7-21(28-22)17-9-13-19(14-10-17)26-24(31)27-20-15-11-18(12-16-20)25(2,3)4/h5-16H,1H2,2-4H3,(H2,26,27,31)(H,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50283271
(CHEMBL4164213)Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C25H26N4O2/c1-5-23(30)29-22-8-6-7-21(28-22)17-9-13-19(14-10-17)26-24(31)27-20-15-11-18(12-16-20)25(2,3)4/h5-16H,1H2,2-4H3,(H2,26,27,31)(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EPHB4 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283078
(CHEMBL4164127)Show SMILES FC(F)(F)c1cccc(NC(=O)C2(CCC2)C(=O)Nc2ccc(cc2)-c2ccc3c(c2)[nH]cnc3=O)c1 Show InChI InChI=1S/C27H21F3N4O3/c28-27(29,30)18-3-1-4-20(14-18)34-25(37)26(11-2-12-26)24(36)33-19-8-5-16(6-9-19)17-7-10-21-22(13-17)31-15-32-23(21)35/h1,3-10,13-15H,2,11-12H2,(H,33,36)(H,34,37)(H,31,32,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50283274
(CHEMBL4171035)Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C22H17F3N4O3/c1-2-20(30)29-19-5-3-4-18(28-19)14-6-8-15(9-7-14)26-21(31)27-16-10-12-17(13-11-16)32-22(23,24)25/h2-13H,1H2,(H2,26,27,31)(H,28,29,30) | 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 | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EPHB4 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50283275
(CHEMBL4160431)Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c(Cl)c1 Show InChI InChI=1S/C21H16Cl2N4O2/c1-2-20(28)27-19-5-3-4-17(25-19)13-6-9-15(10-7-13)24-21(29)26-18-11-8-14(22)12-16(18)23/h2-12H,1H2,(H2,24,26,29)(H,25,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EPHB4 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283266
(CHEMBL4159645)Show SMILES FC(F)(F)c1cc(NC(=O)C2(CCC2)C(=O)Nc2ccc(cc2)-c2ccc3c(c2)[nH]cnc3=O)ccc1Cl Show InChI InChI=1S/C27H20ClF3N4O3/c28-21-9-7-18(13-20(21)27(29,30)31)35-25(38)26(10-1-11-26)24(37)34-17-5-2-15(3-6-17)16-4-8-19-22(12-16)32-14-33-23(19)36/h2-9,12-14H,1,10-11H2,(H,34,37)(H,35,38)(H,32,33,36) | PDB
MMDB
KEGG
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| PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
The binding affinity of the compound was measured on leukotriene-6 receptor using [3H]- IL-6 as radioligand. |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50283078
(CHEMBL4164127)Show SMILES FC(F)(F)c1cccc(NC(=O)C2(CCC2)C(=O)Nc2ccc(cc2)-c2ccc3c(c2)[nH]cnc3=O)c1 Show InChI InChI=1S/C27H21F3N4O3/c28-27(29,30)18-3-1-4-20(14-18)34-25(37)26(11-2-12-26)24(36)33-19-8-5-16(6-9-19)17-7-10-21-22(13-17)31-15-32-23(21)35/h1,3-10,13-15H,2,11-12H2,(H,33,36)(H,34,37)(H,31,32,35) | 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 | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EPHB4 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283274
(CHEMBL4171035)Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C22H17F3N4O3/c1-2-20(30)29-19-5-3-4-18(28-19)14-6-8-15(9-7-14)26-21(31)27-16-10-12-17(13-11-16)32-22(23,24)25/h2-13H,1H2,(H2,26,27,31)(H,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50283260
(CHEMBL4167663)Show SMILES CC(C)c1cccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c1 Show InChI InChI=1S/C24H24N4O2/c1-4-23(29)28-22-10-6-9-21(27-22)17-11-13-19(14-12-17)25-24(30)26-20-8-5-7-18(15-20)16(2)3/h4-16H,1H2,2-3H3,(H2,25,26,30)(H,27,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo assay |
Eur J Med Chem 141: 373-385 (2017)
Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3 |
More data for this
Ligand-Target Pair | |
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