Found 649 hits with Last Name = 'ihnat' and Initial = 'ma' 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 |
|---|
Aminopeptidase N
(Homo sapiens (Human)) | BDBM50435737
(PROBESTIN)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C26H38N4O6/c1-16(2)14-19(28-23(32)22(31)18(27)15-17-8-4-3-5-9-17)24(33)29-12-6-10-20(29)25(34)30-13-7-11-21(30)26(35)36/h3-5,8-9,16,18-22,31H,6-7,10-15,27H2,1-2H3,(H,28,32)(H,35,36)/t18-,19+,20+,21+,22+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Oklahoma Health Sciences Center
Curated by ChEMBL
| Assay Description
Inhibition of aminopeptidase N (unknown origin) using L-leucine-beta-naphthylamide as substrate after 15 mins |
Bioorg Med Chem Lett 23: 3561-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.031
BindingDB Entry DOI: 10.7270/Q2P270JB |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50232828
(CHEMBL4099329)Show SMILES COc1ccc(cc1)N(C)c1nc(N)nc2c(Cc3ccccc3)c[nH]c12 Show InChI InChI=1S/C21H21N5O/c1-26(16-8-10-17(27-2)11-9-16)20-19-18(24-21(22)25-20)15(13-23-19)12-14-6-4-3-5-7-14/h3-11,13,23H,12H2,1-2H3,(H2,22,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF induced phosphorylation preincubated for 60 mins followed by EGF addition measure... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF induced phosphorylation preincubated for 60 mins followed by EGF addition measure... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50232824
(CHEMBL4060996)Show SMILES Cl.COc1ccc(cc1)N(C)c1nc(C)nc2c(Cc3ccccc3)cn(C)c12 Show InChI InChI=1S/C23H24N4O/c1-16-24-21-18(14-17-8-6-5-7-9-17)15-26(2)22(21)23(25-16)27(3)19-10-12-20(28-4)13-11-19/h5-13,15H,14H2,1-4H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF induced phosphorylation preincubated for 60 mins followed by EGF addition measure... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50232823
(CHEMBL4099682)Show SMILES Cl.COc1ccc(Nc2nc(C)nc3c(Cc4ccccc4)cn(C)c23)cc1 Show InChI InChI=1S/C22H22N4O/c1-15-23-20-17(13-16-7-5-4-6-8-16)14-26(2)21(20)22(24-15)25-18-9-11-19(27-3)12-10-18/h4-12,14H,13H2,1-3H3,(H,23,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF induced phosphorylation preincubated for 60 mins followed by EGF addition measure... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Tubulin beta-3 chain
(Homo sapiens) | BDBM50552403
(CHEMBL4800264) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of beta3 Tubulin (unknown origin) expressed in human HeLa cell line assessed as inhibition of cell proliferation measured after 48 hrs by ... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115887
BindingDB Entry DOI: 10.7270/Q2HM5D3P |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50232827
(CHEMBL4104515)Show SMILES Cl.COc1ccc2N(CCCc2c1)c1nc(C)nc2c(Cc3ccccc3)cn(C)c12 Show InChI InChI=1S/C25H26N4O/c1-17-26-23-20(14-18-8-5-4-6-9-18)16-28(2)24(23)25(27-17)29-13-7-10-19-15-21(30-3)11-12-22(19)29/h4-6,8-9,11-12,15-16H,7,10,13-14H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF induced phosphorylation preincubated for 60 mins followed by EGF addition measure... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Tubulin beta-3 chain
(Homo sapiens) | BDBM50005480
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5- | PDB
Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
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UniChem
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| PDB
Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of beta3 Tubulin (unknown origin) expressed in human HeLa cell line assessed as inhibition of cell proliferation measured after 48 hrs by ... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115887
BindingDB Entry DOI: 10.7270/Q2HM5D3P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50051308
((3-Chloro-phenyl)-(9H-pyrimido[4,5-b]indol-4-yl)-a...)Show InChI InChI=1S/C16H11ClN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h1-9H,(H2,18,19,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m... |
Bioorg Med Chem 21: 1857-64 (2013)
Article DOI: 10.1016/j.bmc.2013.01.040
BindingDB Entry DOI: 10.7270/Q2NS0W97 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50232823
(CHEMBL4099682)Show SMILES Cl.COc1ccc(Nc2nc(C)nc3c(Cc4ccccc4)cn(C)c23)cc1 Show InChI InChI=1S/C22H22N4O/c1-15-23-20-17(13-16-7-5-4-6-8-16)14-26(2)21(20)22(24-15)25-18-9-11-19(27-3)12-10-18/h4-12,14H,13H2,1-3H3,(H,23,24,25) | 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 | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of PDGFR-beta in human SF539 cells assessed as reduction in PDGF-BB induced phosphorylation preincubated for 60 mins followed by PDGF-BB a... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Tubulin beta-3 chain
(Homo sapiens) | BDBM50001839
(CHEMBL428647 | PACLITAXEL | taxol)Show SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:4.3,28.30,26.26,10.10,22.23,30.33,wD:23.37,8.45,44.49,46.51,12.12,c:5,(23.85,-5.1,;25.19,-4.32,;25.18,-2.78,;26.52,-5.08,;26.53,-6.61,;23.91,-8.14,;22.57,-8.89,;21.25,-8.11,;22.55,-10.43,;23.89,-11.22,;25.21,-10.45,;25.2,-11.99,;26.54,-11.23,;26.53,-12.77,;25.19,-13.53,;23.87,-12.75,;25.19,-15.05,;23.85,-15.82,;23.84,-17.36,;25.17,-18.14,;26.51,-17.37,;26.52,-15.82,;27.88,-10.47,;29.2,-11.23,;29.96,-12.57,;31.31,-11.81,;30.55,-10.47,;30.55,-8.91,;29.2,-8.13,;30.52,-7.35,;27.88,-8.91,;26.78,-10,;27.87,-7.37,;29.19,-6.59,;28.1,-12.3,;28.1,-13.84,;29.43,-14.62,;26.76,-14.61,;25.23,-8.91,;25.98,-7.57,;26.76,-8.91,;21.21,-11.18,;19.89,-10.4,;19.91,-8.87,;18.55,-11.16,;18.54,-12.7,;17.22,-10.38,;17.24,-8.84,;15.92,-8.06,;14.57,-8.82,;15.93,-6.52,;17.27,-5.78,;17.28,-4.24,;15.95,-3.46,;14.61,-4.23,;14.6,-5.76,;15.89,-11.14,;14.57,-10.36,;13.23,-11.11,;13.21,-12.65,;14.56,-13.43,;15.89,-12.67,)| Show InChI InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of beta3 Tubulin (unknown origin) expressed in human HeLa cell line assessed as inhibition of cell proliferation measured after 48 hrs by ... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115887
BindingDB Entry DOI: 10.7270/Q2HM5D3P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50232828
(CHEMBL4099329)Show SMILES COc1ccc(cc1)N(C)c1nc(N)nc2c(Cc3ccccc3)c[nH]c12 Show InChI InChI=1S/C21H21N5O/c1-26(16-8-10-17(27-2)11-9-16)20-19-18(24-21(22)25-20)15(13-23-19)12-14-6-4-3-5-7-14/h3-11,13,23H,12H2,1-2H3,(H2,22,24,25) | 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 | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of PDGFR-beta in human SF539 cells assessed as reduction in PDGF-BB induced phosphorylation preincubated for 60 mins followed by PDGF-BB a... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Tubulin beta-3 chain
(Homo sapiens) | BDBM50552402
(CHEMBL3040513) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of beta3 Tubulin (unknown origin) expressed in human HeLa cell line assessed as inhibition of cell proliferation measured after 48 hrs by ... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115887
BindingDB Entry DOI: 10.7270/Q2HM5D3P |
More data for this
Ligand-Target Pair | |
Tubulin beta-3 chain
(Homo sapiens) | BDBM50552407
(CHEMBL4758455) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of beta3 Tubulin (unknown origin) expressed in human HeLa cell line assessed as inhibition of cell proliferation measured after 48 hrs by ... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115887
BindingDB Entry DOI: 10.7270/Q2HM5D3P |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50232824
(CHEMBL4060996)Show SMILES Cl.COc1ccc(cc1)N(C)c1nc(C)nc2c(Cc3ccccc3)cn(C)c12 Show InChI InChI=1S/C23H24N4O/c1-16-24-21-18(14-17-8-6-5-7-9-17)15-26(2)22(21)23(25-16)27(3)19-10-12-20(28-4)13-11-19/h5-13,15H,14H2,1-4H3 | 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 |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of PDGFR-beta in human SF539 cells assessed as reduction in PDGF-BB induced phosphorylation preincubated for 60 mins followed by PDGF-BB a... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4810
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR-2 in human U251 cells assessed as reduction in VEGF induced phosphorylation preincubated for 60 mins followed by VEGF addition me... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4810
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA |
ACS Med Chem Lett 5: 480-4 (2014)
Article DOI: 10.1021/ml4004793
BindingDB Entry DOI: 10.7270/Q2H133KM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA |
ACS Med Chem Lett 5: 480-4 (2014)
Article DOI: 10.1021/ml4004793
BindingDB Entry DOI: 10.7270/Q2H133KM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
MMDB
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CHEMBL
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR-2 in human U251 cells assessed as reduction in VEGF induced phosphorylation preincubated for 60 mins followed by VEGF addition me... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB
MMDB
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CHEMBL
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| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of human DHFR |
Bioorg Med Chem 20: 4217-25 (2012)
Article DOI: 10.1016/j.bmc.2012.05.068
BindingDB Entry DOI: 10.7270/Q25X29ZH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50019928
(CHEMBL3287222)Show SMILES Cl.COc1ccc(cc1)N(C)c1nc(C)nc2c(Cc3ccccc3)c[nH]c12 Show InChI InChI=1S/C22H22N4O.ClH/c1-15-24-20-17(13-16-7-5-4-6-8-16)14-23-21(20)22(25-15)26(2)18-9-11-19(27-3)12-10-18;/h4-12,14,23H,13H2,1-3H3;1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA |
ACS Med Chem Lett 5: 480-4 (2014)
Article DOI: 10.1021/ml4004793
BindingDB Entry DOI: 10.7270/Q2H133KM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM66082
((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB
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Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of rat hippocampal Gamma-aminobutyric acid type B receptor (weak agonist) |
Bioorg Med Chem Lett 27: 1602-1607 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.018
BindingDB Entry DOI: 10.7270/Q2P55QR0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50232828
(CHEMBL4099329)Show SMILES COc1ccc(cc1)N(C)c1nc(N)nc2c(Cc3ccccc3)c[nH]c12 Show InChI InChI=1S/C21H21N5O/c1-26(16-8-10-17(27-2)11-9-16)20-19-18(24-21(22)25-20)15(13-23-19)12-14-6-4-3-5-7-14/h3-11,13,23H,12H2,1-2H3,(H2,22,24,25) | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR-2 in human U251 cells assessed as reduction in VEGF induced phosphorylation preincubated for 60 mins followed by VEGF addition me... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50232823
(CHEMBL4099682)Show SMILES Cl.COc1ccc(Nc2nc(C)nc3c(Cc4ccccc4)cn(C)c23)cc1 Show InChI InChI=1S/C22H22N4O/c1-15-23-20-17(13-16-7-5-4-6-8-16)14-26(2)21(20)22(24-15)25-18-9-11-19(27-3)12-10-18/h4-12,14H,13H2,1-3H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| 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 |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR-2 in human U251 cells assessed as reduction in VEGF induced phosphorylation preincubated for 60 mins followed by VEGF addition me... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50019931
(CHEMBL3287219)Show SMILES Cl.COc1ccc(Nc2nc(C)nc3c(Cc4ccccc4)c[nH]c23)c(OC)c1 Show InChI InChI=1S/C22H22N4O2.ClH/c1-14-24-20-16(11-15-7-5-4-6-8-15)13-23-21(20)22(25-14)26-18-10-9-17(27-2)12-19(18)28-3;/h4-10,12-13,23H,11H2,1-3H3,(H,24,25,26);1H | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA |
ACS Med Chem Lett 5: 480-4 (2014)
Article DOI: 10.1021/ml4004793
BindingDB Entry DOI: 10.7270/Q2H133KM |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50232827
(CHEMBL4104515)Show SMILES Cl.COc1ccc2N(CCCc2c1)c1nc(C)nc2c(Cc3ccccc3)cn(C)c12 Show InChI InChI=1S/C25H26N4O/c1-17-26-23-20(14-18-8-5-4-6-9-18)16-28(2)24(23)25(27-17)29-13-7-10-19-15-21(30-3)11-12-22(19)29/h4-6,8-9,11-12,15-16H,7,10,13-14H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of PDGFR-beta in human SF539 cells assessed as reduction in PDGF-BB induced phosphorylation preincubated for 60 mins followed by PDGF-BB a... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50232824
(CHEMBL4060996)Show SMILES Cl.COc1ccc(cc1)N(C)c1nc(C)nc2c(Cc3ccccc3)cn(C)c12 Show InChI InChI=1S/C23H24N4O/c1-16-24-21-18(14-17-8-6-5-7-9-17)15-26(2)22(21)23(25-16)27(3)19-10-12-20(28-4)13-11-19/h5-13,15H,14H2,1-4H3 | 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 |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR-2 in human U251 cells assessed as reduction in VEGF induced phosphorylation preincubated for 60 mins followed by VEGF addition me... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii DHFR |
Bioorg Med Chem 20: 4217-25 (2012)
Article DOI: 10.1016/j.bmc.2012.05.068
BindingDB Entry DOI: 10.7270/Q25X29ZH |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50232827
(CHEMBL4104515)Show SMILES Cl.COc1ccc2N(CCCc2c1)c1nc(C)nc2c(Cc3ccccc3)cn(C)c12 Show InChI InChI=1S/C25H26N4O/c1-17-26-23-20(14-18-8-5-4-6-9-18)16-28(2)24(23)25(27-17)29-13-7-10-19-15-21(30-3)11-12-22(19)29/h4-6,8-9,11-12,15-16H,7,10,13-14H2,1-3H3 | 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 |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR-2 in human U251 cells assessed as reduction in VEGF induced phosphorylation preincubated for 60 mins followed by VEGF addition me... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50232826
(CHEMBL4069672)Show SMILES Cl.COc1ccc2N(CCCc2c1)c1nc(C)nc2c(Cc3ccccc3)c[nH]c12 Show InChI InChI=1S/C24H24N4O/c1-16-26-22-19(13-17-7-4-3-5-8-17)15-25-23(22)24(27-16)28-12-6-9-18-14-20(29-2)10-11-21(18)28/h3-5,7-8,10-11,14-15,25H,6,9,12-13H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF induced phosphorylation preincubated for 60 mins followed by EGF addition measure... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50232826
(CHEMBL4069672)Show SMILES Cl.COc1ccc2N(CCCc2c1)c1nc(C)nc2c(Cc3ccccc3)c[nH]c12 Show InChI InChI=1S/C24H24N4O/c1-16-26-22-19(13-17-7-4-3-5-8-17)15-25-23(22)24(27-16)28-12-6-9-18-14-20(29-2)10-11-21(18)28/h3-5,7-8,10-11,14-15,25H,6,9,12-13H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR-2 in human U251 cells assessed as reduction in VEGF induced phosphorylation preincubated for 60 mins followed by VEGF addition me... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50019930
(CHEMBL3287220)Show SMILES Cl.COc1ccc(Nc2nc(C)nc3c(Cc4ccccc4)c[nH]c23)cc1 Show InChI InChI=1S/C21H20N4O.ClH/c1-14-23-19-16(12-15-6-4-3-5-7-15)13-22-20(19)21(24-14)25-17-8-10-18(26-2)11-9-17;/h3-11,13,22H,12H2,1-2H3,(H,23,24,25);1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA |
ACS Med Chem Lett 5: 480-4 (2014)
Article DOI: 10.1021/ml4004793
BindingDB Entry DOI: 10.7270/Q2H133KM |
More data for this
Ligand-Target Pair | |
Tubulin beta-3 chain
(Homo sapiens) | BDBM50552406
(CHEMBL4763551) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
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| Article
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of beta3 Tubulin (unknown origin) expressed in human HeLa cell line assessed as inhibition of cell proliferation measured after 48 hrs by ... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115887
BindingDB Entry DOI: 10.7270/Q2HM5D3P |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50232825
(CHEMBL4072383)Show SMILES COc1ccc2N(CCCc2c1)c1nc(N)nc2c(Cc3ccccc3)c[nH]c12 Show InChI InChI=1S/C23H23N5O/c1-29-18-9-10-19-16(13-18)8-5-11-28(19)22-21-20(26-23(24)27-22)17(14-25-21)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,13-14,25H,5,8,11-12H2,1H3,(H2,24,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF induced phosphorylation preincubated for 60 mins followed by EGF addition measure... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50019929
(CHEMBL3287221)Show SMILES Cl.CN(c1ccccc1)c1nc(C)nc2c(Cc3ccccc3)c[nH]c12 Show InChI InChI=1S/C21H20N4.ClH/c1-15-23-19-17(13-16-9-5-3-6-10-16)14-22-20(19)21(24-15)25(2)18-11-7-4-8-12-18;/h3-12,14,22H,13H2,1-2H3;1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA |
ACS Med Chem Lett 5: 480-4 (2014)
Article DOI: 10.1021/ml4004793
BindingDB Entry DOI: 10.7270/Q2H133KM |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of PDGFR-beta in human SF539 cells assessed as reduction in PDGF-BB induced phosphorylation preincubated for 60 mins followed by PDGF-BB a... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50232825
(CHEMBL4072383)Show SMILES COc1ccc2N(CCCc2c1)c1nc(N)nc2c(Cc3ccccc3)c[nH]c12 Show InChI InChI=1S/C23H23N5O/c1-29-18-9-10-19-16(13-18)8-5-11-28(19)22-21-20(26-23(24)27-22)17(14-25-21)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,13-14,25H,5,8,11-12H2,1H3,(H2,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR-2 in human U251 cells assessed as reduction in VEGF induced phosphorylation preincubated for 60 mins followed by VEGF addition me... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50008294
(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase |
Bioorg Med Chem 20: 4217-25 (2012)
Article DOI: 10.1016/j.bmc.2012.05.068
BindingDB Entry DOI: 10.7270/Q25X29ZH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50232826
(CHEMBL4069672)Show SMILES Cl.COc1ccc2N(CCCc2c1)c1nc(C)nc2c(Cc3ccccc3)c[nH]c12 Show InChI InChI=1S/C24H24N4O/c1-16-26-22-19(13-17-7-4-3-5-8-17)15-25-23(22)24(27-16)28-12-6-9-18-14-20(29-2)10-11-21(18)28/h3-5,7-8,10-11,14-15,25H,6,9,12-13H2,1-2H3 | 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 |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of PDGFR-beta in human SF539 cells assessed as reduction in PDGF-BB induced phosphorylation preincubated for 60 mins followed by PDGF-BB a... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM4811
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of PDGF-stimulated PDGFRbeta phosphorylation expressed in mouse NIH/3T3 cells by chemiluminescence assay |
Bioorg Med Chem 18: 3575-87 (2010)
Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50360178
(CHEMBL1929556)Show SMILES COc1ccc(OC)c(Cc2cc3c(Nc4ccc(Cl)cc4F)nc(N)nc3[nH]2)c1 Show InChI InChI=1S/C21H19ClFN5O2/c1-29-14-4-6-18(30-2)11(8-14)7-13-10-15-19(25-13)27-21(24)28-20(15)26-17-5-3-12(22)9-16(17)23/h3-6,8-10H,7H2,1-2H3,(H4,24,25,26,27,28) | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 tyrosine kinase activity in VEGF-stimulated human U251 cells after 60 mins by ELISA |
Bioorg Med Chem 20: 910-4 (2012)
Article DOI: 10.1016/j.bmc.2011.11.058
BindingDB Entry DOI: 10.7270/Q27W6CMN |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318173
(CHEMBL1095762 | N4-(4-Bromo-2-chlorophenyl)-6-(2,4...)Show SMILES Nc1nc(Nc2ccc(Br)cc2Cl)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1 Show InChI InChI=1S/C19H13BrCl3N5/c20-10-2-4-16(15(23)6-10)26-18-13-8-12(25-17(13)27-19(24)28-18)5-9-1-3-11(21)7-14(9)22/h1-4,6-8H,5H2,(H4,24,25,26,27,28) | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 phosphorylation in human U251 cells after 10 mins by FLISA |
Bioorg Med Chem 18: 3575-87 (2010)
Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15B
(Rattus norvegicus) | BDBM50235696
(CHEMBL4060383)Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccc4ccccc4c3)c21 Show InChI InChI=1S/C20H15N5S/c21-18-17-16-14(23-19(17)25-20(22)24-18)6-3-7-15(16)26-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,(H5,21,22,23,24,25) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase using dUMP/(6R,S)-tetrahydrofolate as substrate/co-factor by spectrophotometric method |
Bioorg Med Chem Lett 27: 1602-1607 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.018
BindingDB Entry DOI: 10.7270/Q2P55QR0 |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15B
(Rattus norvegicus) | BDBM50235700
(CHEMBL4096329)Show InChI InChI=1S/C17H15N5OS/c1-23-9-5-7-10(8-6-9)24-12-4-2-3-11-13(12)14-15(18)21-17(19)22-16(14)20-11/h2-8H,1H3,(H5,18,19,20,21,22) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase using dUMP/(6R,S)-tetrahydrofolate as substrate/co-factor by spectrophotometric method |
Bioorg Med Chem Lett 27: 1602-1607 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.018
BindingDB Entry DOI: 10.7270/Q2P55QR0 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50430573
(CHEMBL2337373)Show InChI InChI=1S/C16H13N5/c17-16-20-14(18-10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)19-15(13)21-16/h1-9H,(H4,17,18,19,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m... |
Bioorg Med Chem 21: 1857-64 (2013)
Article DOI: 10.1016/j.bmc.2013.01.040
BindingDB Entry DOI: 10.7270/Q2NS0W97 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50232822
(CHEMBL4098409)Show SMILES Cl.COc1ccc2N(CCc2c1)c1nc(C)nc2c(Cc3ccccc3)c[nH]c12 Show InChI InChI=1S/C23H22N4O/c1-15-25-21-18(12-16-6-4-3-5-7-16)14-24-22(21)23(26-15)27-11-10-17-13-19(28-2)8-9-20(17)27/h3-9,13-14,24H,10-12H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 167 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF induced phosphorylation preincubated for 60 mins followed by EGF addition measure... |
Bioorg Med Chem 25: 545-556 (2017)
Article DOI: 10.1016/j.bmc.2016.11.026
BindingDB Entry DOI: 10.7270/Q27W6FF7 |
More data for this
Ligand-Target Pair | |
Tubulin beta-3 chain
(Homo sapiens) | BDBM50552404
(CHEMBL4751710) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of beta3 Tubulin (unknown origin) expressed in human HeLa cell line assessed as inhibition of cell proliferation measured after 48 hrs by ... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115887
BindingDB Entry DOI: 10.7270/Q2HM5D3P |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50019927
(CHEMBL3287223)Show InChI InChI=1S/C15H16N4O.ClH/c1-10-17-13-8-9-16-14(13)15(18-10)19(2)11-4-6-12(20-3)7-5-11;/h4-9,16H,1-3H3;1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 182 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA |
ACS Med Chem Lett 5: 480-4 (2014)
Article DOI: 10.1021/ml4004793
BindingDB Entry DOI: 10.7270/Q2H133KM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50318174
(CHEMBL1095761 | N4-(3-bromophenyl)-6-(2,4-dichloro...)Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1 Show InChI InChI=1S/C19H14BrCl2N5/c20-11-2-1-3-13(7-11)24-17-15-9-14(25-18(15)27-19(23)26-17)6-10-4-5-12(21)8-16(10)22/h1-5,7-9H,6H2,(H4,23,24,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR phosphorylation in human A431 cells after 10 mins by FLISA |
Bioorg Med Chem 18: 3575-87 (2010)
Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM3032
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 20: 3177-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.064
BindingDB Entry DOI: 10.7270/Q23R0T2Z |
More data for this
Ligand-Target Pair | |
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