Found 150 hits with Last Name = 'almo' and Initial = 'sc' 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 |
|---|
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM36435
((3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthi...)Show SMILES CCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O Show InChI InChI=1S/C14H21N5OS/c1-2-21-7-10-5-19(6-11(10)20)4-9-3-16-13-12(9)17-8-18-14(13)15/h3,8,10-11,16,20H,2,4-7H2,1H3,(H2,15,17,18)/t10-,11+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0700 | -58.0 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description
Purified MTAN activity in MTAN enzyme inhibition assay |
Nat Chem Biol 5: 251-7 (2009)
Article DOI: 10.1038/nchembio.153
BindingDB Entry DOI: 10.7270/Q28C9TM9 |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM22113
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r| Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.0730 | -57.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description
Purified MTAN activity in MTAN enzyme inhibition assay |
Nat Chem Biol 5: 251-7 (2009)
Article DOI: 10.1038/nchembio.153
BindingDB Entry DOI: 10.7270/Q28C9TM9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM36436
((3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthi...)Show SMILES CCCCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O Show InChI InChI=1S/C16H25N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,18,22H,2-4,6-9H2,1H3,(H2,17,19,20)/t12-,13+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.208 | -55.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Albert Einstein College of Medicine
| Assay Description
Purified MTAN activity in MTAN enzyme inhibition assay |
Nat Chem Biol 5: 251-7 (2009)
Article DOI: 10.1038/nchembio.153
BindingDB Entry DOI: 10.7270/Q28C9TM9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hypoxanthine-guanine-xanthine phosphoribosyltransferase
(Plasmodium falciparum) | BDBM92358
(HGXPRT Inhibitor, 3)Show SMILES OC[C@H](CCP([O-])([O-])=O)[NH2+]c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C10H13N4O5P/c15-4-6(1-2-20(17,18)19)14-7-3-11-9-8(7)12-5-13-10(9)16/h3,5-6,14-15H,1-2,4H2,(H2,17,18,19)/p-1/t6-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.650 | -54.5 | n/a | n/a | n/a | n/a | n/a | 7.6 | 37 |
Albert Einstein College of Medicine
| Assay Description
PfHGXPRT activity was measured using spectrophotometric assay observing the conversion of xanthine and 5-phospho-alpha-D-ribose-1-pyrophosphate to xa... |
Chem Biol 19: 721-30 (2012)
Article DOI: 10.1016/j.chembiol.2012.04.012
BindingDB Entry DOI: 10.7270/Q2639NB8 |
More data for this
Ligand-Target Pair | |
Hypoxanthine-guanine-xanthine phosphoribosyltransferase
(Plasmodium falciparum) | BDBM92357
(HGXPRT Inhibitor, 2)Show SMILES [O-]P([O-])(=O)CCC[NH2+]c1c[nH]c2c1nc[nH]c2=O Show InChI InChI=1S/C9H11N4O4P/c14-9-8-7(12-5-13-9)6(4-11-8)10-2-1-3-18(15,16)17/h4-5,10H,1-3H2,(H2,15,16,17)/p-1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10.6 | -47.3 | n/a | n/a | n/a | n/a | n/a | 7.6 | 37 |
Albert Einstein College of Medicine
| Assay Description
PfHGXPRT activity was measured using spectrophotometric assay observing the conversion of xanthine and 5-phospho-alpha-D-ribose-1-pyrophosphate to xa... |
Chem Biol 19: 721-30 (2012)
Article DOI: 10.1016/j.chembiol.2012.04.012
BindingDB Entry DOI: 10.7270/Q2639NB8 |
More data for this
Ligand-Target Pair | |
Hypoxanthine-guanine phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM92358
(HGXPRT Inhibitor, 3)Show SMILES OC[C@H](CCP([O-])([O-])=O)[NH2+]c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C10H13N4O5P/c15-4-6(1-2-20(17,18)19)14-7-3-11-9-8(7)12-5-13-10(9)16/h3,5-6,14-15H,1-2,4H2,(H2,17,18,19)/p-1/t6-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 385 | -38.1 | n/a | n/a | n/a | n/a | n/a | 7.6 | 37 |
Albert Einstein College of Medicine
| Assay Description
PfHGXPRT activity was measured using spectrophotometric assay observing the conversion of xanthine and 5-phospho-alpha-D-ribose-1-pyrophosphate to xa... |
Chem Biol 19: 721-30 (2012)
Article DOI: 10.1016/j.chembiol.2012.04.012
BindingDB Entry DOI: 10.7270/Q2639NB8 |
More data for this
Ligand-Target Pair | |
Hypoxanthine-guanine phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM92357
(HGXPRT Inhibitor, 2)Show SMILES [O-]P([O-])(=O)CCC[NH2+]c1c[nH]c2c1nc[nH]c2=O Show InChI InChI=1S/C9H11N4O4P/c14-9-8-7(12-5-13-9)6(4-11-8)10-2-1-3-18(15,16)17/h4-5,10H,1-3H2,(H2,15,16,17)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.94E+3 | -31.5 | n/a | n/a | n/a | n/a | n/a | 7.6 | 37 |
Albert Einstein College of Medicine
| Assay Description
PfHGXPRT activity was measured using spectrophotometric assay observing the conversion of xanthine and 5-phospho-alpha-D-ribose-1-pyrophosphate to xa... |
Chem Biol 19: 721-30 (2012)
Article DOI: 10.1016/j.chembiol.2012.04.012
BindingDB Entry DOI: 10.7270/Q2639NB8 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318946
(CHEMBL1085293 | rac-9-(2-hydroxyethyl)-5-methyl-12...)Show SMILES Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c3n(CCO)c3ccc(cc23)C2CCCCO2)n1 Show InChI InChI=1S/C27H28N4O3/c1-30-14-19-20(29-30)7-6-16-23(19)25-18(13-28-27(25)33)24-17-12-15(22-4-2-3-11-34-22)5-8-21(17)31(9-10-32)26(16)24/h5,8,12,14,22,32H,2-4,6-7,9-11,13H2,1H3,(H,28,33) | 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 |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50318959
(CHEMBL1084337 | rac-9-isobutyl-5-methyl-12-(tetrah...)Show SMILES CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C29H32N4O2/c1-16(2)14-33-23-10-7-17(24-6-4-5-11-35-24)12-19(23)26-20-13-30-29(34)27(20)25-18(28(26)33)8-9-22-21(25)15-32(3)31-22/h7,10,12,15-16,24H,4-6,8-9,11,13-14H2,1-3H3,(H,30,34) | PDB
MMDB
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 |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TIE-2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50318963
(CHEMBL1084061 | rac-5-methyl-9-propyl-12-(tetrahyd...)Show SMILES CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C28H30N4O2/c1-3-11-32-22-10-7-16(23-6-4-5-12-34-23)13-18(22)25-19-14-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)15-31(2)30-21/h7,10,13,15,23H,3-6,8-9,11-12,14H2,1-2H3,(H,29,33) | PDB
MMDB
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 |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TIE-2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318960
(CHEMBL1082503 | rac-5-methyl-12-(tetrahydro-2H-pyr...)Show SMILES Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4cc(ccc4[nH]c32)C2CCCCO2)n1 Show InChI InChI=1S/C25H24N4O2/c1-29-12-17-19(28-29)8-6-14-21(17)23-16(11-26-25(23)30)22-15-10-13(20-4-2-3-9-31-20)5-7-18(15)27-24(14)22/h5,7,10,12,20,27H,2-4,6,8-9,11H2,1H3,(H,26,30) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50318958
(CHEMBL1082829 | rac-9-butyl-5-methyl-12-(tetrahydr...)Show SMILES CCCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C29H32N4O2/c1-3-4-12-33-23-11-8-17(24-7-5-6-13-35-24)14-19(23)26-20-15-30-29(34)27(20)25-18(28(26)33)9-10-22-21(25)16-32(2)31-22/h8,11,14,16,24H,3-7,9-10,12-13,15H2,1-2H3,(H,30,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR3 at 3 uM |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318962
(CHEMBL1083757 | rac-9-ethyl-5-methyl-12-(tetrahydr...)Show SMILES CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C27H28N4O2/c1-3-31-21-10-7-15(22-6-4-5-11-33-22)12-17(21)24-18-13-28-27(32)25(18)23-16(26(24)31)8-9-20-19(23)14-30(2)29-20/h7,10,12,14,22H,3-6,8-9,11,13H2,1-2H3,(H,28,32) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318957
(9-(2-hydroxyethyl)-6-methyl-12-(tetrahydro-2H-pyra...)Show SMILES Cn1ncc-2c1CCc1c-2c2C(=O)NCc2c2c1n(CCO)c1ccc(cc21)C1CCCCO1 Show InChI InChI=1S/C27H28N4O3/c1-30-20-8-6-16-23(18(20)14-29-30)25-19(13-28-27(25)33)24-17-12-15(22-4-2-3-11-34-22)5-7-21(17)31(9-10-32)26(16)24/h5,7,12,14,22,32H,2-4,6,8-11,13H2,1H3,(H,28,33) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318963
(CHEMBL1084061 | rac-5-methyl-9-propyl-12-(tetrahyd...)Show SMILES CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C28H30N4O2/c1-3-11-32-22-10-7-16(23-6-4-5-12-34-23)13-18(22)25-19-14-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)15-31(2)30-21/h7,10,13,15,23H,3-6,8-9,11-12,14H2,1-2H3,(H,29,33) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318949
(6-methyl-12-(tetrahydro-2H-pyran-2-yl)-6,7,8,9-tet...)Show SMILES Cn1ncc-2c1CCc1c-2c2C(=O)NCc2c2c3cc(ccc3[nH]c12)C1CCCCO1 Show InChI InChI=1S/C25H24N4O2/c1-29-19-8-6-14-21(16(19)12-27-29)23-17(11-26-25(23)30)22-15-10-13(20-4-2-3-9-31-20)5-7-18(15)28-24(14)22/h5,7,10,12,20,28H,2-4,6,8-9,11H2,1H3,(H,26,30) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50318959
(CHEMBL1084337 | rac-9-isobutyl-5-methyl-12-(tetrah...)Show SMILES CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C29H32N4O2/c1-16(2)14-33-23-10-7-17(24-6-4-5-11-35-24)12-19(23)26-20-13-30-29(34)27(20)25-18(28(26)33)8-9-22-21(25)15-32(3)31-22/h7,10,12,15-16,24H,4-6,8-9,11,13-14H2,1-3H3,(H,30,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR3 at 3 uM |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50318970
(CHEMBL1082755 | rac-9-allyl-5-methyl-12-(tetrahydr...)Show SMILES Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4cc(ccc4n(CC=C)c32)C2CCCCO2)n1 Show InChI InChI=1S/C28H28N4O2/c1-3-11-32-22-10-7-16(23-6-4-5-12-34-23)13-18(22)25-19-14-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)15-31(2)30-21/h3,7,10,13,15,23H,1,4-6,8-9,11-12,14H2,2H3,(H,29,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TIE-2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318951
(9-ethyl-6-methyl-12-(tetrahydro-2H-pyran-2-yl)-6,7...)Show SMILES CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cnn(C)c4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C27H28N4O2/c1-3-31-21-9-7-15(22-6-4-5-11-33-22)12-17(21)24-19-13-28-27(32)25(19)23-16(26(24)31)8-10-20-18(23)14-29-30(20)2/h7,9,12,14,22H,3-6,8,10-11,13H2,1-2H3,(H,28,32) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318960
(CHEMBL1082503 | rac-5-methyl-12-(tetrahydro-2H-pyr...)Show SMILES Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4cc(ccc4[nH]c32)C2CCCCO2)n1 Show InChI InChI=1S/C25H24N4O2/c1-29-12-17-19(28-29)8-6-14-21(17)23-16(11-26-25(23)30)22-15-10-13(20-4-2-3-9-31-20)5-7-18(15)27-24(14)22/h5,7,10,12,20,27H,2-4,6,8-9,11H2,1H3,(H,26,30) | 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 | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318961
(CHEMBL1082826 | rac-5,9-dimethyl-12-(tetrahydro-2H...)Show SMILES Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4cc(ccc4n(C)c32)C2CCCCO2)n1 Show InChI InChI=1S/C26H26N4O2/c1-29-13-18-19(28-29)8-7-15-22(18)24-17(12-27-26(24)31)23-16-11-14(21-5-3-4-10-32-21)6-9-20(16)30(2)25(15)23/h6,9,11,13,21H,3-5,7-8,10,12H2,1-2H3,(H,27,31) | 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 | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318964
(CHEMBL1084062 | rac-9-isopropyl-5-methyl-12-(tetra...)Show SMILES CC(C)n1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C28H30N4O2/c1-15(2)32-22-10-7-16(23-6-4-5-11-34-23)12-18(22)25-19-13-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)14-31(3)30-21/h7,10,12,14-15,23H,4-6,8-9,11,13H2,1-3H3,(H,29,33) | 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 | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318959
(CHEMBL1084337 | rac-9-isobutyl-5-methyl-12-(tetrah...)Show SMILES CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C29H32N4O2/c1-16(2)14-33-23-10-7-17(24-6-4-5-11-35-24)12-19(23)26-20-13-30-29(34)27(20)25-18(28(26)33)8-9-22-21(25)15-32(3)31-22/h7,10,12,15-16,24H,4-6,8-9,11,13-14H2,1-3H3,(H,30,34) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318963
(CHEMBL1084061 | rac-5-methyl-9-propyl-12-(tetrahyd...)Show SMILES CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C28H30N4O2/c1-3-11-32-22-10-7-16(23-6-4-5-12-34-23)13-18(22)25-19-14-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)15-31(2)30-21/h7,10,13,15,23H,3-6,8-9,11-12,14H2,1-2H3,(H,29,33) | 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 | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318962
(CHEMBL1083757 | rac-9-ethyl-5-methyl-12-(tetrahydr...)Show SMILES CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C27H28N4O2/c1-3-31-21-10-7-15(22-6-4-5-11-33-22)12-17(21)24-18-13-28-27(32)25(18)23-16(26(24)31)8-9-20-19(23)14-30(2)29-20/h7,10,12,14,22H,3-6,8-9,11,13H2,1-2H3,(H,28,32) | 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 | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318958
(CHEMBL1082829 | rac-9-butyl-5-methyl-12-(tetrahydr...)Show SMILES CCCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C29H32N4O2/c1-3-4-12-33-23-11-8-17(24-7-5-6-13-35-24)14-19(23)26-20-15-30-29(34)27(20)25-18(28(26)33)9-10-22-21(25)16-32(2)31-22/h8,11,14,16,24H,3-7,9-10,12-13,15H2,1-2H3,(H,30,34) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50318964
(CHEMBL1084062 | rac-9-isopropyl-5-methyl-12-(tetra...)Show SMILES CC(C)n1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C28H30N4O2/c1-15(2)32-22-10-7-16(23-6-4-5-11-34-23)12-18(22)25-19-13-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)14-31(3)30-21/h7,10,12,14-15,23H,4-6,8-9,11,13H2,1-3H3,(H,29,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TIE-2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50318958
(CHEMBL1082829 | rac-9-butyl-5-methyl-12-(tetrahydr...)Show SMILES CCCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C29H32N4O2/c1-3-4-12-33-23-11-8-17(24-7-5-6-13-35-24)14-19(23)26-20-15-30-29(34)27(20)25-18(28(26)33)9-10-22-21(25)16-32(2)31-22/h8,11,14,16,24H,3-7,9-10,12-13,15H2,1-2H3,(H,30,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TIE-2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318959
(CHEMBL1084337 | rac-9-isobutyl-5-methyl-12-(tetrah...)Show SMILES CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C29H32N4O2/c1-16(2)14-33-23-10-7-17(24-6-4-5-11-35-24)12-19(23)26-20-13-30-29(34)27(20)25-18(28(26)33)8-9-22-21(25)15-32(3)31-22/h7,10,12,15-16,24H,4-6,8-9,11,13-14H2,1-3H3,(H,30,34) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50318962
(CHEMBL1083757 | rac-9-ethyl-5-methyl-12-(tetrahydr...)Show SMILES CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C27H28N4O2/c1-3-31-21-10-7-15(22-6-4-5-11-33-22)12-17(21)24-18-13-28-27(32)25(18)23-16(26(24)31)8-9-20-19(23)14-30(2)29-20/h7,10,12,14,22H,3-6,8-9,11,13H2,1-2H3,(H,28,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TIE-2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM151585
(US11739089, Compound Ketoconazole | US8987315, Ket...)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Global Blood Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 using in human liver microsomes using testosterone as substrate after 5 to 15 mins |
ACS Med Chem Lett 8: 321-326 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00491
BindingDB Entry DOI: 10.7270/Q21J9D2Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318961
(CHEMBL1082826 | rac-5,9-dimethyl-12-(tetrahydro-2H...)Show SMILES Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4cc(ccc4n(C)c32)C2CCCCO2)n1 Show InChI InChI=1S/C26H26N4O2/c1-29-13-18-19(28-29)8-7-15-22(18)24-17(12-27-26(24)31)23-16-11-14(21-5-3-4-10-32-21)6-9-20(16)30(2)25(15)23/h6,9,11,13,21H,3-5,7-8,10,12H2,1-2H3,(H,27,31) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50318947
(CHEMBL1085540 | rac-9-(3-hydroxypropyl)-5-methyl-1...)Show SMILES Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c3n(CCCO)c3ccc(cc23)C2CCCCO2)n1 Show InChI InChI=1S/C28H30N4O3/c1-31-15-20-21(30-31)8-7-17-24(20)26-19(14-29-28(26)34)25-18-13-16(23-5-2-3-12-35-23)6-9-22(18)32(27(17)25)10-4-11-33/h6,9,13,15,23,33H,2-5,7-8,10-12,14H2,1H3,(H,29,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TIE-2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50318959
(CHEMBL1084337 | rac-9-isobutyl-5-methyl-12-(tetrah...)Show SMILES CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C29H32N4O2/c1-16(2)14-33-23-10-7-17(24-6-4-5-11-35-24)12-19(23)26-20-13-30-29(34)27(20)25-18(28(26)33)8-9-22-21(25)15-32(3)31-22/h7,10,12,15-16,24H,4-6,8-9,11,13-14H2,1-3H3,(H,30,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR1 at 3 uM |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318948
(CHEMBL1085541 | rac-9-(2-(diethylamino)ethyl)-5-me...)Show SMILES CCN(CC)CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C31H37N5O2/c1-4-35(5-2)13-14-36-25-12-9-19(26-8-6-7-15-38-26)16-21(25)28-22-17-32-31(37)29(22)27-20(30(28)36)10-11-24-23(27)18-34(3)33-24/h9,12,16,18,26H,4-8,10-11,13-15,17H2,1-3H3,(H,32,37) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318947
(CHEMBL1085540 | rac-9-(3-hydroxypropyl)-5-methyl-1...)Show SMILES Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c3n(CCCO)c3ccc(cc23)C2CCCCO2)n1 Show InChI InChI=1S/C28H30N4O3/c1-31-15-20-21(30-31)8-7-17-24(20)26-19(14-29-28(26)34)25-18-13-16(23-5-2-3-12-35-23)6-9-22(18)32(27(17)25)10-4-11-33/h6,9,13,15,23,33H,2-5,7-8,10-12,14H2,1H3,(H,29,34) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50318945
(CHEMBL1082756 | rac-9-(2-ethoxyethyl)-5-methyl-12-...)Show SMILES CCOCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C29H32N4O3/c1-3-35-13-11-33-23-10-7-17(24-6-4-5-12-36-24)14-19(23)26-20-15-30-29(34)27(20)25-18(28(26)33)8-9-22-21(25)16-32(2)31-22/h7,10,14,16,24H,3-6,8-9,11-13,15H2,1-2H3,(H,30,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TIE-2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM151585
(US11739089, Compound Ketoconazole | US8987315, Ket...)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Global Blood Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 using in human liver microsomes using midazolam as substrate after 5 to 15 mins |
ACS Med Chem Lett 8: 321-326 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00491
BindingDB Entry DOI: 10.7270/Q21J9D2Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50318955
(9-isobutyl-6-methyl-12-(tetrahydro-2H-pyran-2-yl)-...)Show SMILES CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cnn(C)c4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C29H32N4O2/c1-16(2)15-33-23-9-7-17(24-6-4-5-11-35-24)12-19(23)26-21-13-30-29(34)27(21)25-18(28(26)33)8-10-22-20(25)14-31-32(22)3/h7,9,12,14,16,24H,4-6,8,10-11,13,15H2,1-3H3,(H,30,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TIE-2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318970
(CHEMBL1082755 | rac-9-allyl-5-methyl-12-(tetrahydr...)Show SMILES Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4cc(ccc4n(CC=C)c32)C2CCCCO2)n1 Show InChI InChI=1S/C28H28N4O2/c1-3-11-32-22-10-7-16(23-6-4-5-12-34-23)13-18(22)25-19-14-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)15-31(2)30-21/h3,7,10,13,15,23H,1,4-6,8-9,11-12,14H2,2H3,(H,29,33) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318952
(6-methyl-9-propyl-12-(tetrahydro-2H-pyran-2-yl)-6,...)Show SMILES CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cnn(C)c4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C28H30N4O2/c1-3-11-32-22-9-7-16(23-6-4-5-12-34-23)13-18(22)25-20-14-29-28(33)26(20)24-17(27(25)32)8-10-21-19(24)15-30-31(21)2/h7,9,13,15,23H,3-6,8,10-12,14H2,1-2H3,(H,29,33) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318964
(CHEMBL1084062 | rac-9-isopropyl-5-methyl-12-(tetra...)Show SMILES CC(C)n1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C28H30N4O2/c1-15(2)32-22-10-7-16(23-6-4-5-11-34-23)12-18(22)25-19-13-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)14-31(3)30-21/h7,10,12,14-15,23H,4-6,8-9,11,13H2,1-3H3,(H,29,33) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50318965
(CHEMBL1084338 | rac-9-isopentyl-5-methyl-12-(tetra...)Show SMILES CC(C)CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C30H34N4O2/c1-17(2)11-12-34-24-10-7-18(25-6-4-5-13-36-25)14-20(24)27-21-15-31-30(35)28(21)26-19(29(27)34)8-9-23-22(26)16-33(3)32-23/h7,10,14,16-17,25H,4-6,8-9,11-13,15H2,1-3H3,(H,31,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TIE-2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318950
(6,9-dimethyl-12-(tetrahydro-2H-pyran-2-yl)-6,7,8,9...)Show SMILES Cn1ncc-2c1CCc1c-2c2C(=O)NCc2c2c3cc(ccc3n(C)c12)C1CCCCO1 Show InChI InChI=1S/C26H26N4O2/c1-29-19-8-6-14(21-5-3-4-10-32-21)11-16(19)23-18-12-27-26(31)24(18)22-15(25(23)29)7-9-20-17(22)13-28-30(20)2/h6,8,11,13,21H,3-5,7,9-10,12H2,1-2H3,(H,27,31) | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318945
(CHEMBL1082756 | rac-9-(2-ethoxyethyl)-5-methyl-12-...)Show SMILES CCOCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C29H32N4O3/c1-3-35-13-11-33-23-10-7-17(24-6-4-5-12-36-24)14-19(23)26-20-15-30-29(34)27(20)25-18(28(26)33)8-9-22-21(25)16-32(2)31-22/h7,10,14,16,24H,3-6,8-9,11-13,15H2,1-2H3,(H,30,34) | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50318952
(6-methyl-9-propyl-12-(tetrahydro-2H-pyran-2-yl)-6,...)Show SMILES CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cnn(C)c4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C28H30N4O2/c1-3-11-32-22-9-7-16(23-6-4-5-12-34-23)13-18(22)25-20-14-29-28(33)26(20)24-17(27(25)32)8-10-21-19(24)15-30-31(21)2/h7,9,13,15,23H,3-6,8,10-12,14H2,1-2H3,(H,29,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TIE-2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318958
(CHEMBL1082829 | rac-9-butyl-5-methyl-12-(tetrahydr...)Show SMILES CCCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C29H32N4O2/c1-3-4-12-33-23-11-8-17(24-7-5-6-13-35-24)14-19(23)26-20-15-30-29(34)27(20)25-18(28(26)33)9-10-22-21(25)16-32(2)31-22/h8,11,14,16,24H,3-7,9-10,12-13,15H2,1-2H3,(H,30,34) | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM24949
(3-(2-hydroxyethyl)-20-(propan-2-yloxy)-3,13-diazah...)Show SMILES CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1 Show InChI InChI=1S/C27H26N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)29(11-12-30)26(20)24/h3-6,8,10,13,15,30H,7,9,11-12,14H2,1-2H3,(H,28,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Cephalon
| Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera... |
J Med Chem 51: 5680-9 (2008)
Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50318946
(CHEMBL1085293 | rac-9-(2-hydroxyethyl)-5-methyl-12...)Show SMILES Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c3n(CCO)c3ccc(cc23)C2CCCCO2)n1 Show InChI InChI=1S/C27H28N4O3/c1-30-14-19-20(29-30)7-6-16-23(19)25-18(13-28-27(25)33)24-17-12-15(22-4-2-3-11-34-22)5-8-21(17)31(9-10-32)26(16)24/h5,8,12,14,22,32H,2-4,6-7,9-11,13H2,1H3,(H,28,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TIE-2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50318958
(CHEMBL1082829 | rac-9-butyl-5-methyl-12-(tetrahydr...)Show SMILES CCCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C29H32N4O2/c1-3-4-12-33-23-11-8-17(24-7-5-6-13-35-24)14-19(23)26-20-15-30-29(34)27(20)25-18(28(26)33)9-10-22-21(25)16-32(2)31-22/h8,11,14,16,24H,3-7,9-10,12-13,15H2,1-2H3,(H,30,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR1 at 3 uM |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this
Ligand-Target Pair | |
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