Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'abdellatif' and Initial = 'kra'   

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
Serine/threonine-protein kinase B-raf (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 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	60	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length GST-tagged human B-RAF V600E mutant (417 to 766 residues) expressed in Baculovirus infected Sf9 cells using N-t...				Eur J Med Chem 150: 567-578 (2018) Article DOI: 10.1016/j.ejmech.2018.03.001 BindingDB Entry DOI: 10.7270/Q26D5WNS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (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 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	80	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of His-6 tagged recombinant EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in Baculovirus infected Sf9 cells by...				Eur J Med Chem 150: 567-578 (2018) Article DOI: 10.1016/j.ejmech.2018.03.001 BindingDB Entry DOI: 10.7270/Q26D5WNS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222457 ((E)-4-[2-(4-Chlorophenyl)-5-oxo-4-(3,4,5-trimethox...) Show SMILES COc1cc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)cc(OC)c1OC |c:7| Show InChI InChI=1S/C25H22ClN3O6S/c1-33-21-13-15(14-22(34-2)23(21)35-3)12-20-25(30)29(18-8-10-19(11-9-18)36(27,31)32)24(28-20)16-4-6-17(26)7-5-16/h4-14H,1-3H3,(H2,27,31,32)/b20-12+	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	420	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222461 ((E)-4-[2-(4-Chloro-phenyl)-4-(4-nitrobenzylidene)-...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccc(cc2)[N+]([O-])=O)N=C1c1ccc(Cl)cc1 |c:26| Show InChI InChI=1S/C22H15ClN4O5S/c23-16-5-3-15(4-6-16)21-25-20(13-14-1-7-18(8-2-14)27(29)30)22(28)26(21)17-9-11-19(12-10-17)33(24,31)32/h1-13H,(H2,24,31,32)/b20-13+	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	520	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222460 ((E)-4-[2-(4-Chlorophenyl)-4-(3,4-dimethoxybenzylid...) Show SMILES COc1ccc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)cc1OC |c:8| Show InChI InChI=1S/C24H20ClN3O5S/c1-32-21-12-3-15(14-22(21)33-2)13-20-24(29)28(18-8-10-19(11-9-18)34(26,30)31)23(27-20)16-4-6-17(25)7-5-16/h3-14H,1-2H3,(H2,26,30,31)/b20-13+	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	550	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222458 ((E)-4-[2-(4-Chlorophenyl)-5-oxo-4-(4-trifluorometh...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccc(cc2)C(F)(F)F)N=C1c1ccc(Cl)cc1 |c:27| Show InChI InChI=1S/C23H15ClF3N3O3S/c24-17-7-3-15(4-8-17)21-29-20(13-14-1-5-16(6-2-14)23(25,26)27)22(31)30(21)18-9-11-19(12-10-18)34(28,32)33/h1-13H,(H2,28,32,33)/b20-13+	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	620	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	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 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 PDB Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222462 ((E)-4-[4-(2-Chlorobenzylidene)-2-(4-chlorophenyl)-...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccccc2Cl)N=C1c1ccc(Cl)cc1 |c:24| Show InChI InChI=1S/C22H15Cl2N3O3S/c23-16-7-5-14(6-8-16)21-26-20(13-15-3-1-2-4-19(15)24)22(28)27(21)17-9-11-18(12-10-17)31(25,29)30/h1-13H,(H2,25,29,30)/b20-13+	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	860	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222459 ((E)-4-[2-(4-Chlorophenyl)-4-(2,3-dimethoxybenzylid...) Show SMILES COc1cccc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)c1OC |c:9| Show InChI InChI=1S/C24H20ClN3O5S/c1-32-21-5-3-4-16(22(21)33-2)14-20-24(29)28(18-10-12-19(13-11-18)34(26,30)31)23(27-20)15-6-8-17(25)9-7-15/h3-14H,1-2H3,(H2,26,30,31)/b20-14+	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	920	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222463 ((E)-4-[4-(4-Chlorobenzylidene)-2-(4-chlorophenyl)-...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1 |c:24| Show InChI InChI=1S/C22H15Cl2N3O3S/c23-16-5-1-14(2-6-16)13-20-22(28)27(18-9-11-19(12-10-18)31(25,29)30)21(26-20)15-3-7-17(24)8-4-15/h1-13H,(H2,25,29,30)/b20-13+	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	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50462234 (CHEMBL4241486) Show SMILES O=C(N\N=C1/CC2(CCCCC2)Oc2c1ccc1ccccc21)C1C2CC3CC(C2)CC1C3 |TLB:32:31:29:25.26.27,THB:27:26:23:30.28.29,27:28:23:25.32.26,1:23:29:25.26.27,32:26:23.31.30:29,(33.82,-4.03,;33.82,-5.57,;35.16,-6.34,;36.49,-5.57,;37.83,-6.33,;37.83,-7.88,;39.16,-8.64,;37.83,-9.4,;37.82,-10.94,;39.14,-11.72,;40.48,-10.95,;40.49,-9.41,;40.51,-7.87,;40.49,-6.33,;39.15,-5.56,;39.16,-4.01,;40.49,-3.24,;41.83,-4.01,;43.15,-3.23,;44.49,-3.99,;44.5,-5.54,;43.16,-6.32,;41.83,-5.55,;32.49,-6.34,;31.27,-7.59,;29.96,-7.08,;28.55,-7.4,;28.51,-8.93,;29.9,-9.53,;31.25,-9.08,;30.96,-8.32,;30.99,-6.73,;29.59,-6.14,)| Show InChI InChI=1S/C29H34N2O2/c32-28(26-21-13-18-12-19(15-21)16-22(26)14-18)31-30-25-17-29(10-4-1-5-11-29)33-27-23-7-3-2-6-20(23)8-9-24(25)27/h2-3,6-9,18-19,21-22,26H,1,4-5,10-17H2,(H,31,32)/b30-25+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of His-6 tagged recombinant EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in Baculovirus infected Sf9 cells by...				Eur J Med Chem 150: 567-578 (2018) Article DOI: 10.1016/j.ejmech.2018.03.001 BindingDB Entry DOI: 10.7270/Q26D5WNS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50462233 (CHEMBL4244030) Show SMILES NCCCCCCC(=S)N\N=C1/CC2(CCCCC2)Oc2c1ccc1ccccc21 Show InChI InChI=1S/C25H33N3OS/c26-17-9-2-1-4-12-23(30)28-27-22-18-25(15-7-3-8-16-25)29-24-20-11-6-5-10-19(20)13-14-21(22)24/h5-6,10-11,13-14H,1-4,7-9,12,15-18,26H2,(H,28,30)/b27-22+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of His-6 tagged recombinant EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in Baculovirus infected Sf9 cells by...				Eur J Med Chem 150: 567-578 (2018) Article DOI: 10.1016/j.ejmech.2018.03.001 BindingDB Entry DOI: 10.7270/Q26D5WNS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50462232 (CHEMBL4241867) Show SMILES Clc1ccc(NC(=O)N\N=C2/CC3(CCCC3)Oc3ccccc23)cc1 Show InChI InChI=1S/C20H20ClN3O2/c21-14-7-9-15(10-8-14)22-19(25)24-23-17-13-20(11-3-4-12-20)26-18-6-2-1-5-16(17)18/h1-2,5-10H,3-4,11-13H2,(H2,22,24,25)/b23-17+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of His-6 tagged recombinant EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in Baculovirus infected Sf9 cells by...				Eur J Med Chem 150: 567-578 (2018) Article DOI: 10.1016/j.ejmech.2018.03.001 BindingDB Entry DOI: 10.7270/Q26D5WNS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222464 ((E)-4-[2-(4-Chlorophenyl)-4-(4-methylbenzylidene)-...) Show SMILES Cc1ccc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)cc1 |c:7| Show InChI InChI=1S/C23H18ClN3O3S/c1-15-2-4-16(5-3-15)14-21-23(28)27(19-10-12-20(13-11-19)31(25,29)30)22(26-21)17-6-8-18(24)9-7-17/h2-14H,1H3,(H2,25,29,30)/b21-14+	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	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50462234 (CHEMBL4241486) Show SMILES O=C(N\N=C1/CC2(CCCCC2)Oc2c1ccc1ccccc21)C1C2CC3CC(C2)CC1C3 |TLB:32:31:29:25.26.27,THB:27:26:23:30.28.29,27:28:23:25.32.26,1:23:29:25.26.27,32:26:23.31.30:29,(33.82,-4.03,;33.82,-5.57,;35.16,-6.34,;36.49,-5.57,;37.83,-6.33,;37.83,-7.88,;39.16,-8.64,;37.83,-9.4,;37.82,-10.94,;39.14,-11.72,;40.48,-10.95,;40.49,-9.41,;40.51,-7.87,;40.49,-6.33,;39.15,-5.56,;39.16,-4.01,;40.49,-3.24,;41.83,-4.01,;43.15,-3.23,;44.49,-3.99,;44.5,-5.54,;43.16,-6.32,;41.83,-5.55,;32.49,-6.34,;31.27,-7.59,;29.96,-7.08,;28.55,-7.4,;28.51,-8.93,;29.9,-9.53,;31.25,-9.08,;30.96,-8.32,;30.99,-6.73,;29.59,-6.14,)| Show InChI InChI=1S/C29H34N2O2/c32-28(26-21-13-18-12-19(15-21)16-22(26)14-18)31-30-25-17-29(10-4-1-5-11-29)33-27-23-7-3-2-6-20(23)8-9-24(25)27/h2-3,6-9,18-19,21-22,26H,1,4-5,10-17H2,(H,31,32)/b30-25+	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	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length GST-tagged human B-RAF V600E mutant (417 to 766 residues) expressed in Baculovirus infected Sf9 cells using N-t...				Eur J Med Chem 150: 567-578 (2018) Article DOI: 10.1016/j.ejmech.2018.03.001 BindingDB Entry DOI: 10.7270/Q26D5WNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50462233 (CHEMBL4244030) Show SMILES NCCCCCCC(=S)N\N=C1/CC2(CCCCC2)Oc2c1ccc1ccccc21 Show InChI InChI=1S/C25H33N3OS/c26-17-9-2-1-4-12-23(30)28-27-22-18-25(15-7-3-8-16-25)29-24-20-11-6-5-10-19(20)13-14-21(22)24/h5-6,10-11,13-14H,1-4,7-9,12,15-18,26H2,(H,28,30)/b27-22+	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	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length GST-tagged human B-RAF V600E mutant (417 to 766 residues) expressed in Baculovirus infected Sf9 cells using N-t...				Eur J Med Chem 150: 567-578 (2018) Article DOI: 10.1016/j.ejmech.2018.03.001 BindingDB Entry DOI: 10.7270/Q26D5WNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50462232 (CHEMBL4241867) Show SMILES Clc1ccc(NC(=O)N\N=C2/CC3(CCCC3)Oc3ccccc23)cc1 Show InChI InChI=1S/C20H20ClN3O2/c21-14-7-9-15(10-8-14)22-19(25)24-23-17-13-20(11-3-4-12-20)26-18-6-2-1-5-16(17)18/h1-2,5-10H,3-4,11-13H2,(H2,22,24,25)/b23-17+	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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length GST-tagged human B-RAF V600E mutant (417 to 766 residues) expressed in Baculovirus infected Sf9 cells using N-t...				Eur J Med Chem 150: 567-578 (2018) Article DOI: 10.1016/j.ejmech.2018.03.001 BindingDB Entry DOI: 10.7270/Q26D5WNS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM222460 ((E)-4-[2-(4-Chlorophenyl)-4-(3,4-dimethoxybenzylid...) Show SMILES COc1ccc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)cc1OC |c:8| Show InChI InChI=1S/C24H20ClN3O5S/c1-32-21-12-3-15(14-22(21)33-2)13-20-24(29)28(18-8-10-19(11-9-18)34(26,30)31)23(27-20)16-4-6-17(25)7-5-16/h3-14H,1-2H3,(H2,26,30,31)/b20-13+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM222461 ((E)-4-[2-(4-Chloro-phenyl)-4-(4-nitrobenzylidene)-...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccc(cc2)[N+]([O-])=O)N=C1c1ccc(Cl)cc1 |c:26| Show InChI InChI=1S/C22H15ClN4O5S/c23-16-5-3-15(4-6-16)21-25-20(13-14-1-7-18(8-2-14)27(29)30)22(28)26(21)17-9-11-19(12-10-17)33(24,31)32/h1-13H,(H2,24,31,32)/b20-13+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM222457 ((E)-4-[2-(4-Chlorophenyl)-5-oxo-4-(3,4,5-trimethox...) Show SMILES COc1cc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)cc(OC)c1OC |c:7| Show InChI InChI=1S/C25H22ClN3O6S/c1-33-21-13-15(14-22(34-2)23(21)35-3)12-20-25(30)29(18-8-10-19(11-9-18)36(27,31)32)24(28-20)16-4-6-17(26)7-5-16/h4-14H,1-3H3,(H2,27,31,32)/b20-12+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM222459 ((E)-4-[2-(4-Chlorophenyl)-4-(2,3-dimethoxybenzylid...) Show SMILES COc1cccc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)c1OC |c:9| Show InChI InChI=1S/C24H20ClN3O5S/c1-32-21-5-3-4-16(22(21)33-2)14-20-24(29)28(18-10-12-19(13-11-18)34(26,30)31)23(27-20)15-6-8-17(25)9-7-15/h3-14H,1-2H3,(H2,26,30,31)/b20-14+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM222458 ((E)-4-[2-(4-Chlorophenyl)-5-oxo-4-(4-trifluorometh...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccc(cc2)C(F)(F)F)N=C1c1ccc(Cl)cc1 |c:27| Show InChI InChI=1S/C23H15ClF3N3O3S/c24-17-7-3-15(4-8-17)21-29-20(13-14-1-5-16(6-2-14)23(25,26)27)22(31)30(21)18-9-11-19(12-10-18)34(28,32)33/h1-13H,(H2,28,32,33)/b20-13+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM222462 ((E)-4-[4-(2-Chlorobenzylidene)-2-(4-chlorophenyl)-...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccccc2Cl)N=C1c1ccc(Cl)cc1 |c:24| Show InChI InChI=1S/C22H15Cl2N3O3S/c23-16-7-5-14(6-8-16)21-26-20(13-15-3-1-2-4-19(15)24)22(28)27(21)17-9-11-18(12-10-17)31(25,29)30/h1-13H,(H2,25,29,30)/b20-13+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM222463 ((E)-4-[4-(4-Chlorobenzylidene)-2-(4-chlorophenyl)-...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1 |c:24| Show InChI InChI=1S/C22H15Cl2N3O3S/c23-16-5-1-14(2-6-16)13-20-22(28)27(18-9-11-19(12-10-18)31(25,29)30)21(26-20)15-3-7-17(24)8-4-15/h1-13H,(H2,25,29,30)/b20-13+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM222464 ((E)-4-[2-(4-Chlorophenyl)-4-(4-methylbenzylidene)-...) Show SMILES Cc1ccc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)cc1 |c:7| Show InChI InChI=1S/C23H18ClN3O3S/c1-15-2-4-16(5-3-15)14-21-23(28)27(19-10-12-20(13-11-19)31(25,29)30)22(26-21)17-6-8-18(24)9-7-17/h2-14H,1H3,(H2,25,29,30)/b21-14+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University; Ibn Sina National College for Medical Studies					Assay Description The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...				Bioorg Chem 72: 123-129 (2017) Article DOI: 10.1016/j.bioorg.2017.04.002 BindingDB Entry DOI: 10.7270/Q2MS3RMF
					More data for this Ligand-Target Pair