Compile Data Set for Download or QSAR

Found 192 hits with Last Name = 'abou-zeid' and Initial = 'la'   

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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50531540 (CHEBI:75998 | GSK-1120212 | GSK1120212 | JTP 74057...) Show SMILES CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O Show InChI InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin)				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50363397 (CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2 (Homo sapiens (Human))	BDBM50531540 (CHEBI:75998 | GSK-1120212 | GSK1120212 | JTP 74057...) Show SMILES CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O Show InChI InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of MEK2 (unknown origin)				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR in human RPMI-8226 cells incubated for 2 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112062 BindingDB Entry DOI: 10.7270/Q25M69BV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535309 (CHEMBL4582195) Show SMILES O=C(CSC(=S)N1CCCCC1)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C20H22N4O2S2/c25-18(14-28-20(27)24-11-4-1-5-12-24)22-15-7-6-8-16(13-15)23-19(26)17-9-2-3-10-21-17/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,22,25)(H,23,26)	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	27	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26474 (5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...) Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50551188 (CHEMBL4778826) Show SMILES COc1ccc(\C=C\C(=O)c2nnn(c2C)-c2ccc(Cl)cc2)cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR in human RPMI-8226 cells incubated for 2 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112062 BindingDB Entry DOI: 10.7270/Q25M69BV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM21 (CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...) Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50551188 (CHEMBL4778826) Show SMILES COc1ccc(\C=C\C(=O)c2nnn(c2C)-c2ccc(Cl)cc2)cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC8 in human RPMI-8226 cells incubated for 2 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112062 BindingDB Entry DOI: 10.7270/Q25M69BV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50535325 (CHEMBL4437943) Show SMILES O=C(CCSC(=S)N1CCN(CC1)c1ccccc1)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C26H27N5O2S2/c32-24(28-20-7-6-8-21(19-20)29-25(33)23-11-4-5-13-27-23)12-18-35-26(34)31-16-14-30(15-17-31)22-9-2-1-3-10-22/h1-11,13,19H,12,14-18H2,(H,28,32)(H,29,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human HER2 in human A549 cells by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NFkappaB p65 in human RPMI-8226 cells incubated for 2 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112062 BindingDB Entry DOI: 10.7270/Q25M69BV
					More data for this Ligand-Target Pair
Epidermal growth factor 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	57	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged EGFR (695 to end) expressed in baculovirus infected Sf9 cells using ATP as substrate after 40 m...				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50535314 (CHEMBL4437803) Show SMILES O=C(NC1CCCCC1)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C19H22N4O2/c24-18(17-11-4-5-12-20-17)21-15-9-6-10-16(13-15)23-19(25)22-14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,21,24)(H2,22,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human HER2 in human A549 cells by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC 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 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	64	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human HER2 in human A549 cells by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50535325 (CHEMBL4437943) Show SMILES O=C(CCSC(=S)N1CCN(CC1)c1ccccc1)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C26H27N5O2S2/c32-24(28-20-7-6-8-21(19-20)29-25(33)23-11-4-5-13-27-23)12-18-35-26(34)31-16-14-30(15-17-31)22-9-2-1-3-10-22/h1-11,13,19H,12,14-18H2,(H,28,32)(H,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged EGFR (695 to end) expressed in baculovirus infected Sf9 cells using ATP as substrate after 40 m...				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50069989 ((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	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	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC8 in human RPMI-8226 cells incubated for 2 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112062 BindingDB Entry DOI: 10.7270/Q25M69BV
					More data for this Ligand-Target Pair
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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human DHFR after 2 mins				Bioorg Med Chem 18: 2849-63 (2010) Article DOI: 10.1016/j.bmc.2010.03.019 BindingDB Entry DOI: 10.7270/Q2M61M6S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Bos taurus (Cattle))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine DHFR after 2 mins				Bioorg Med Chem 18: 2849-63 (2010) Article DOI: 10.1016/j.bmc.2010.03.019 BindingDB Entry DOI: 10.7270/Q2M61M6S
					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 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	80	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50535309 (CHEMBL4582195) Show SMILES O=C(CSC(=S)N1CCCCC1)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C20H22N4O2S2/c25-18(14-28-20(27)24-11-4-1-5-12-24)22-15-7-6-8-16(13-15)23-19(26)17-9-2-3-10-21-17/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,22,25)(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged EGFR (695 to end) expressed in baculovirus infected Sf9 cells using ATP as substrate after 40 m...				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535314 (CHEMBL4437803) Show SMILES O=C(NC1CCCCC1)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C19H22N4O2/c24-18(17-11-4-5-12-20-17)21-15-9-6-10-16(13-15)23-19(25)22-14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,21,24)(H2,22,23,25)	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	87	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
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	90	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535325 (CHEMBL4437943) Show SMILES O=C(CCSC(=S)N1CCN(CC1)c1ccccc1)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C26H27N5O2S2/c32-24(28-20-7-6-8-21(19-20)29-25(33)23-11-4-5-13-27-23)12-18-35-26(34)31-16-14-30(15-17-31)22-9-2-1-3-10-22/h1-11,13,19H,12,14-18H2,(H,28,32)(H,29,33)	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	94	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535330 (CHEMBL4466088) Show SMILES O=C(CSC(=S)N1CCN(CC1)c1ccccc1)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C25H25N5O2S2/c31-23(18-34-25(33)30-15-13-29(14-16-30)21-9-2-1-3-10-21)27-19-7-6-8-20(17-19)28-24(32)22-11-4-5-12-26-22/h1-12,17H,13-16,18H2,(H,27,31)(H,28,32)	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	96	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535323 (CHEMBL4543044) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCC(=O)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C24H29N5O4S2/c1-24(2,3)33-22(32)28-11-13-29(14-12-28)23(34)35-16-20(30)26-17-7-6-8-18(15-17)27-21(31)19-9-4-5-10-25-19/h4-10,15H,11-14,16H2,1-3H3,(H,26,30)(H,27,31)	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	96	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535318 (CHEMBL4584717) Show SMILES O=C(Nc1cccc(NC(=S)Nc2ccccc2)c1)c1ccccn1 Show InChI InChI=1S/C19H16N4OS/c24-18(17-11-4-5-12-20-17)21-15-9-6-10-16(13-15)23-19(25)22-14-7-2-1-3-8-14/h1-13H,(H,21,24)(H2,22,23,25)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50535309 (CHEMBL4582195) Show SMILES O=C(CSC(=S)N1CCCCC1)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C20H22N4O2S2/c25-18(14-28-20(27)24-11-4-1-5-12-24)22-15-7-6-8-16(13-15)23-19(26)17-9-2-3-10-21-17/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,22,25)(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human HER2 in human A549 cells by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
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	105	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of VEGFR2 in human RPMI-8226 cells incubated for 2 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112062 BindingDB Entry DOI: 10.7270/Q25M69BV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535324 (CHEMBL4443510) Show SMILES O=C(CCSC(=S)N1CCCCC1)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C21H24N4O2S2/c26-19(10-14-29-21(28)25-12-4-1-5-13-25)23-16-7-6-8-17(15-16)24-20(27)18-9-2-3-11-22-18/h2-3,6-9,11,15H,1,4-5,10,12-14H2,(H,23,26)(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535327 (CHEMBL4521454) Show SMILES Clc1ccc(NC(=O)Nc2cccc(NC(=O)c3ccccn3)c2)cc1 Show InChI InChI=1S/C19H15ClN4O2/c20-13-7-9-14(10-8-13)23-19(26)24-16-5-3-4-15(12-16)22-18(25)17-6-1-2-11-21-17/h1-12H,(H,22,25)(H2,23,24,26)	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	115	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535313 (CHEMBL4536372) Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2cccc(NC(=O)c3ccccn3)c2)cc1 Show InChI InChI=1S/C19H15N5O4/c25-18(17-6-1-2-11-20-17)21-14-4-3-5-15(12-14)23-19(26)22-13-7-9-16(10-8-13)24(27)28/h1-12H,(H,21,25)(H2,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50551188 (CHEMBL4778826) Show SMILES COc1ccc(\C=C\C(=O)c2nnn(c2C)-c2ccc(Cl)cc2)cc1OC Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NFkappaB p65 in human RPMI-8226 cells incubated for 2 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112062 BindingDB Entry DOI: 10.7270/Q25M69BV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50535314 (CHEMBL4437803) Show SMILES O=C(NC1CCCCC1)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C19H22N4O2/c24-18(17-11-4-5-12-20-17)21-15-9-6-10-16(13-15)23-19(25)22-14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,21,24)(H2,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged EGFR (695 to end) expressed in baculovirus infected Sf9 cells using ATP as substrate after 40 m...				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535316 (CHEMBL4558158) Show SMILES Cc1ccc(NC(=O)Nc2cccc(NC(=O)c3ccccn3)c2)cc1 Show InChI InChI=1S/C20H18N4O2/c1-14-8-10-15(11-9-14)23-20(26)24-17-6-4-5-16(13-17)22-19(25)18-7-2-3-12-21-18/h2-13H,1H3,(H,22,25)(H2,23,24,26)	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	160	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535321 (CHEMBL4513911) Show SMILES O=C(CSC(=S)N1CCN(CC1)C1CCCCC1)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C25H31N5O2S2/c31-23(18-34-25(33)30-15-13-29(14-16-30)21-9-2-1-3-10-21)27-19-7-6-8-20(17-19)28-24(32)22-11-4-5-12-26-22/h4-8,11-12,17,21H,1-3,9-10,13-16,18H2,(H,27,31)(H,28,32)	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	160	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
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	180	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535319 (CHEMBL4449758) Show SMILES [O-][N+](=O)c1ccc(NC(=S)Nc2cccc(NC(=O)c3ccccn3)c2)cc1 Show InChI InChI=1S/C19H15N5O3S/c25-18(17-6-1-2-11-20-17)21-14-4-3-5-15(12-14)23-19(28)22-13-7-9-16(10-8-13)24(26)27/h1-12H,(H,21,25)(H2,22,23,28)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535326 (CHEMBL4529255) Show SMILES O=C(CCSC(=S)N1CCOCC1)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C20H22N4O3S2/c25-18(7-13-29-20(28)24-9-11-27-12-10-24)22-15-4-3-5-16(14-15)23-19(26)17-6-1-2-8-21-17/h1-6,8,14H,7,9-13H2,(H,22,25)(H,23,26)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535320 (CHEMBL4467322) Show SMILES O=C(CSC(=S)N1CCOCC1)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C19H20N4O3S2/c24-17(13-28-19(27)23-8-10-26-11-9-23)21-14-4-3-5-15(12-14)22-18(25)16-6-1-2-7-20-16/h1-7,12H,8-11,13H2,(H,21,24)(H,22,25)	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	221	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535322 (CHEMBL4570460) Show SMILES C=CCN1CCN(CC1)C(=S)SCC(=O)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C22H25N5O2S2/c1-2-10-26-11-13-27(14-12-26)22(30)31-16-20(28)24-17-6-5-7-18(15-17)25-21(29)19-8-3-4-9-23-19/h2-9,15H,1,10-14,16H2,(H,24,28)(H,25,29)	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	286	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA				Bioorg Med Chem 24: 3818-28 (2016) Article DOI: 10.1016/j.bmc.2016.06.026 BindingDB Entry DOI: 10.7270/Q2QV3PDJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid ...				Eur J Med Chem 115: 121-31 (2016) Article DOI: 10.1016/j.ejmech.2016.03.011 BindingDB Entry DOI: 10.7270/Q22N545K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535331 (CHEMBL4465496) Show SMILES O=C(CSC(=S)N1CCN(CC1)c1ncccn1)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C23H23N7O2S2/c31-20(16-34-23(33)30-13-11-29(12-14-30)22-25-9-4-10-26-22)27-17-5-3-6-18(15-17)28-21(32)19-7-1-2-8-24-19/h1-10,15H,11-14,16H2,(H,27,31)(H,28,32)	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	302	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535310 (CHEMBL4436488) Show SMILES Clc1cccc(NC(=O)Nc2cccc(NC(=O)c3ccccn3)c2)c1 Show InChI InChI=1S/C19H15ClN4O2/c20-13-5-3-6-14(11-13)23-19(26)24-16-8-4-7-15(12-16)22-18(25)17-9-1-2-10-21-17/h1-12H,(H,22,25)(H2,23,24,26)	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	319	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ovine COX2 assessed as reduction in PGF2alpha production using arachidonic acid as substrate preincubated with enzyme for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.066 BindingDB Entry DOI: 10.7270/Q2BV7M9G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50180630 (CHEMBL3814616) Show SMILES Fc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccn2)cc1 Show InChI InChI=1S/C23H19FN4O2S/c24-16-8-10-18(11-9-16)26-21(29)15-31-23-27-20-7-2-1-6-19(20)22(30)28(23)14-12-17-5-3-4-13-25-17/h1-11,13H,12,14-15H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA				Bioorg Med Chem 24: 3818-28 (2016) Article DOI: 10.1016/j.bmc.2016.06.026 BindingDB Entry DOI: 10.7270/Q2QV3PDJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50551188 (CHEMBL4778826) Show SMILES COc1ccc(\C=C\C(=O)c2nnn(c2C)-c2ccc(Cl)cc2)cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	388	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of VEGFR2 in human RPMI-8226 cells incubated for 2 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112062 BindingDB Entry DOI: 10.7270/Q25M69BV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535312 (CHEMBL4469407) Show SMILES O=C(CCSC(=S)N1CCN(CC1)c1ncccn1)Nc1cccc(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C24H25N7O2S2/c32-21(28-18-5-3-6-19(17-18)29-22(33)20-7-1-2-9-25-20)8-16-35-24(34)31-14-12-30(13-15-31)23-26-10-4-11-27-23/h1-7,9-11,17H,8,12-16H2,(H,28,32)(H,29,33)	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	396	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50316117 (2-Allylthio-3-benzyl-6-diallylamino-quinazolin-4(3...) Show SMILES C=CCSc1nc2ccc(cc2c(=O)n1Cc1ccccc1)N(CC=C)CC=C Show InChI InChI=1S/C24H25N3OS/c1-4-14-26(15-5-2)20-12-13-22-21(17-20)23(28)27(24(25-22)29-16-6-3)18-19-10-8-7-9-11-19/h4-13,17H,1-3,14-16,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine DHFR after 2 mins				Bioorg Med Chem 18: 2849-63 (2010) Article DOI: 10.1016/j.bmc.2010.03.019 BindingDB Entry DOI: 10.7270/Q2M61M6S
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50180632 (CHEMBL3813998) Show SMILES COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccn2)cc(OC)c1OC Show InChI InChI=1S/C26H26N4O5S/c1-33-21-14-18(15-22(34-2)24(21)35-3)28-23(31)16-36-26-29-20-10-5-4-9-19(20)25(32)30(26)13-11-17-8-6-7-12-27-17/h4-10,12,14-15H,11,13,16H2,1-3H3,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA				Bioorg Med Chem 24: 3818-28 (2016) Article DOI: 10.1016/j.bmc.2016.06.026 BindingDB Entry DOI: 10.7270/Q2QV3PDJ
					More data for this Ligand-Target Pair

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