Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'khan' and Initial = 'aa'   

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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50228403 ((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222244 (6-Iodo-N3-(3-nitrobenzylidene)-2-phenyl-N4-(thiazo...) Show SMILES [O-][N+](=O)c1cccc(\C=N\N2C(Nc3nccs3)c3cc(I)ccc3N=C2c2ccccc2)c1 |c:27| Show InChI InChI=1S/C24H17IN6O2S/c25-18-9-10-21-20(14-18)23(29-24-26-11-12-34-24)30(22(28-21)17-6-2-1-3-7-17)27-15-16-5-4-8-19(13-16)31(32)33/h1-15,23H,(H,26,29)/b27-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222254 (6-Iodo-N4-(4-methylthiazol-2-yl)-N3-(3-nitrobenzyl...) Show SMILES Cc1csc(NC2N(\N=C\c3cccc(c3)[N+]([O-])=O)C(=Nc3ccc(I)cc23)c2ccccc2)n1 |c:20| Show InChI InChI=1S/C25H19IN6O2S/c1-16-15-35-25(28-16)30-24-21-13-19(26)10-11-22(21)29-23(18-7-3-2-4-8-18)31(24)27-14-17-6-5-9-20(12-17)32(33)34/h2-15,24H,1H3,(H,28,30)/b27-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222239 (N3-(3-Nitrobenzylidene)-2-phenyl-N4-(thiazol-2-yl)...) Show SMILES [O-][N+](=O)c1cccc(\C=N\N2C(Nc3nccs3)c3ccccc3N=C2c2ccccc2)c1 |c:26| Show InChI InChI=1S/C24H18N6O2S/c31-30(32)19-10-6-7-17(15-19)16-26-29-22(18-8-2-1-3-9-18)27-21-12-5-4-11-20(21)23(29)28-24-25-13-14-33-24/h1-16,23H,(H,25,28)/b26-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222245 (6-Iodo-N3-(4-methoxybenzylidene)-2-phenyl-N4-(thia...) Show SMILES COc1ccc(\C=N\N2C(Nc3nccs3)c3cc(I)ccc3N=C2c2ccccc2)cc1 |c:25| Show InChI InChI=1S/C25H20IN5OS/c1-32-20-10-7-17(8-11-20)16-28-31-23(18-5-3-2-4-6-18)29-22-12-9-19(26)15-21(22)24(31)30-25-27-13-14-33-25/h2-16,24H,1H3,(H,27,30)/b28-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.62	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222255 (6-Iodo-N3-(4-methoxybenzylidene)-N4-(4-methylthiaz...) Show SMILES COc1ccc(\C=N\N2C(Nc3nc(C)cs3)c3cc(I)ccc3N=C2c2ccccc2)cc1 |c:26| Show InChI InChI=1S/C26H22IN5OS/c1-17-16-34-26(29-17)31-25-22-14-20(27)10-13-23(22)30-24(19-6-4-3-5-7-19)32(25)28-15-18-8-11-21(33-2)12-9-18/h3-16,25H,1-2H3,(H,29,31)/b28-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.82	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222249 (N4-(4-Methylthiazol-2-yl)-N3-(3-nitrobenzylidene)-...) Show SMILES Cc1csc(NC2N(\N=C\c3cccc(c3)[N+]([O-])=O)C(=Nc3ccccc23)c2ccccc2)n1 |c:20| Show InChI InChI=1S/C25H20N6O2S/c1-17-16-34-25(27-17)29-24-21-12-5-6-13-22(21)28-23(19-9-3-2-4-10-19)30(24)26-15-18-8-7-11-20(14-18)31(32)33/h2-16,24H,1H3,(H,27,29)/b26-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.19	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222250 (N3-(4-methoxybenzylidene)-N4-(4-methylthiazol-2-yl...) Show SMILES COc1ccc(\C=N\N2C(Nc3nc(C)cs3)c3ccccc3N=C2c2ccccc2)cc1 |c:25| Show InChI InChI=1S/C26H23N5OS/c1-18-17-33-26(28-18)30-25-22-10-6-7-11-23(22)29-24(20-8-4-3-5-9-20)31(25)27-16-19-12-14-21(32-2)15-13-19/h3-17,25H,1-2H3,(H,28,30)/b27-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.42	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222240 (N3-(4-Methoxybenzylidene)-2-phenyl-N4-(thiazol-2-y...) Show SMILES COc1ccc(\C=N\N2C(Nc3nccs3)c3ccccc3N=C2c2ccccc2)cc1 |c:24| Show InChI InChI=1S/C25H21N5OS/c1-31-20-13-11-18(12-14-20)17-27-30-23(19-7-3-2-4-8-19)28-22-10-6-5-9-21(22)24(30)29-25-26-15-16-32-25/h2-17,24H,1H3,(H,26,29)/b27-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.82	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222247 (6-Iodo-N3-(2-methoxybenzylidene)-2-phenyl-N4-(thia...) Show SMILES COc1ccccc1\C=N\N1C(Nc2nccs2)c2cc(I)ccc2N=C1c1ccccc1 |c:28| Show InChI InChI=1S/C25H20IN5OS/c1-32-22-10-6-5-9-18(22)16-28-31-23(17-7-3-2-4-8-17)29-21-12-11-19(26)15-20(21)24(31)30-25-27-13-14-33-25/h2-16,24H,1H3,(H,27,30)/b28-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.48	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50210628 (CHEMBL3946861) Show SMILES CCSc1ncc(-c2cc([nH]c(=N)c2C#N)-c2ccc(Br)cc2)n1Cc1ccccc1 Show InChI InChI=1S/C24H20BrN5S/c1-2-31-24-28-14-22(30(24)15-16-6-4-3-5-7-16)19-12-21(29-23(27)20(19)13-26)17-8-10-18(25)11-9-17/h3-12,14H,2,15H2,1H3,(H2,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of human PDE3A using fluorescein-labelled cAMP as substrate measured after 60 mins by IMAP TR-FRET assay				Eur J Med Chem 125: 143-189 (2017) Article DOI: 10.1016/j.ejmech.2016.09.023 BindingDB Entry DOI: 10.7270/Q23T9K6Z
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222257 (6-Iodo-N3-(2-methoxybenzylidene)-N4-(4-methylthiaz...) Show SMILES COc1ccccc1\C=N\N1C(Nc2nc(C)cs2)c2cc(I)ccc2N=C1c1ccccc1 |c:29| Show InChI InChI=1S/C26H22IN5OS/c1-17-16-34-26(29-17)31-25-21-14-20(27)12-13-22(21)30-24(18-8-4-3-5-9-18)32(25)28-15-19-10-6-7-11-23(19)33-2/h3-16,25H,1-2H3,(H,29,31)/b28-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222252 (N3-(2-methoxybenzylidene)-N4-(4-methylthiazol-2-yl...) Show SMILES COc1ccccc1\C=N\N1C(Nc2nc(C)cs2)c2ccccc2N=C1c1ccccc1 |c:28| Show InChI InChI=1S/C26H23N5OS/c1-18-17-33-26(28-18)30-25-21-13-7-8-14-22(21)29-24(19-10-4-3-5-11-19)31(25)27-16-20-12-6-9-15-23(20)32-2/h3-17,25H,1-2H3,(H,28,30)/b27-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.21	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222242 (N3-(2-Methoxybenzylidene)-2-phenyl-N4-(thiazol-2-y...) Show SMILES COc1ccccc1\C=N\N1C(Nc2nccs2)c2ccccc2N=C1c1ccccc1 |c:27| Show InChI InChI=1S/C25H21N5OS/c1-31-22-14-8-5-11-19(22)17-27-30-23(18-9-3-2-4-10-18)28-21-13-7-6-12-20(21)24(30)29-25-26-15-16-32-25/h2-17,24H,1H3,(H,26,29)/b27-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.51	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222256 (N3-(4-(Dimethylamino)-benzylidene)-6-iodo-N4-(4-me...) Show SMILES CN(C)c1ccc(\C=N\N2C(Nc3nc(C)cs3)c3cc(I)ccc3N=C2c2ccccc2)cc1 |c:27| Show InChI InChI=1S/C27H25IN6S/c1-18-17-35-27(30-18)32-26-23-15-21(28)11-14-24(23)31-25(20-7-5-4-6-8-20)34(26)29-16-19-9-12-22(13-10-19)33(2)3/h4-17,26H,1-3H3,(H,30,32)/b29-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.53	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222251 (N3-(4-(Dimethylamino)-benzylidene)-N4-(4-methylthi...) Show SMILES CN(C)c1ccc(\C=N\N2C(Nc3nc(C)cs3)c3ccccc3N=C2c2ccccc2)cc1 |c:26| Show InChI InChI=1S/C27H26N6S/c1-19-18-34-27(29-19)31-26-23-11-7-8-12-24(23)30-25(21-9-5-4-6-10-21)33(26)28-17-20-13-15-22(16-14-20)32(2)3/h4-18,26H,1-3H3,(H,29,31)/b28-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.72	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222253 (N3-Benzylidene-6-iodo-N4-(4-methylthiazol-2-yl)-2-...) Show SMILES Cc1csc(NC2N(\N=C\c3ccccc3)C(=Nc3ccc(I)cc23)c2ccccc2)n1 |c:17| Show InChI InChI=1S/C25H20IN5S/c1-17-16-32-25(28-17)30-24-21-14-20(26)12-13-22(21)29-23(19-10-6-3-7-11-19)31(24)27-15-18-8-4-2-5-9-18/h2-16,24H,1H3,(H,28,30)/b27-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.24	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222246 (N3-{4-(Dimethylamino)-benzylidene}-6-iodo-2-phenyl...) Show SMILES CN(C)c1ccc(\C=N\N2C(Nc3nccs3)c3cc(I)ccc3N=C2c2ccccc2)cc1 |c:26| Show InChI InChI=1S/C26H23IN6S/c1-32(2)21-11-8-18(9-12-21)17-29-33-24(19-6-4-3-5-7-19)30-23-13-10-20(27)16-22(23)25(33)31-26-28-14-15-34-26/h3-17,25H,1-2H3,(H,28,31)/b29-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.83	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222248 (N3-Benzylidene-N4-(4-methylthiazol-2-yl)-2-phenylq...) Show SMILES Cc1csc(NC2N(\N=C\c3ccccc3)C(=Nc3ccccc23)c2ccccc2)n1 |c:17| Show InChI InChI=1S/C25H21N5S/c1-18-17-31-25(27-18)29-24-21-14-8-9-15-22(21)28-23(20-12-6-3-7-13-20)30(24)26-16-19-10-4-2-5-11-19/h2-17,24H,1H3,(H,27,29)/b26-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.17	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222241 (N3-(4-(Dimethylamino)-benzylidene)-2-phenyl-N4-(th...) Show SMILES CN(C)c1ccc(\C=N\N2C(Nc3nccs3)c3ccccc3N=C2c2ccccc2)cc1 |c:25| Show InChI InChI=1S/C26H24N6S/c1-31(2)21-14-12-19(13-15-21)18-28-32-24(20-8-4-3-5-9-20)29-23-11-7-6-10-22(23)25(32)30-26-27-16-17-33-26/h3-18,25H,1-2H3,(H,27,30)/b28-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.64	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
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	11	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222243 (N3-Benzylidene-6-iodo-2-phenyl-N4-(thiazol-2-yl)-q...) Show SMILES Ic1ccc2N=C(N(\N=C\c3ccccc3)C(Nc3nccs3)c2c1)c1ccccc1 |c:5| Show InChI InChI=1S/C24H18IN5S/c25-19-11-12-21-20(15-19)23(29-24-26-13-14-31-24)30(27-16-17-7-3-1-4-8-17)22(28-21)18-9-5-2-6-10-18/h1-16,23H,(H,26,29)/b27-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12.3	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222238 (N3-Benzylidene-2-phenyl-N4-(thiazol-2-yl)-quinazol...) Show SMILES N(C1N(\N=C\c2ccccc2)C(=Nc2ccccc12)c1ccccc1)c1nccs1 |c:12| Show InChI InChI=1S/C24H19N5S/c1-3-9-18(10-4-1)17-26-29-22(19-11-5-2-6-12-19)27-21-14-8-7-13-20(21)23(29)28-24-25-15-16-30-24/h1-17,23H,(H,25,28)/b26-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13.7	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...				Bioorg Chem 71: 181-191 (2017) Article DOI: 10.1016/j.bioorg.2017.02.004 BindingDB Entry DOI: 10.7270/Q2PR7TTR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (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 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	24	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of HRG stimulated erbB2 phosphorylation in human MCF-7 cells preincubated for 90 mins followed by HRG addition for 5 mins by ELISA method				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50232320 (CHEMBL4103370) Show SMILES Clc1ccc(cc1)-c1nnc(Cc2nc3ccccc3[nH]2)o1 Show InChI InChI=1S/C16H11ClN4O/c17-11-7-5-10(6-8-11)16-21-20-15(22-16)9-14-18-12-3-1-2-4-13(12)19-14/h1-8H,9H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50232320 (CHEMBL4103370) Show SMILES Clc1ccc(cc1)-c1nnc(Cc2nc3ccccc3[nH]2)o1 Show InChI InChI=1S/C16H11ClN4O/c17-11-7-5-10(6-8-11)16-21-20-15(22-16)9-14-18-12-3-1-2-4-13(12)19-14/h1-8H,9H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50232327 (CHEMBL4084249) Show SMILES COc1ccc(cc1)-c1nnc(Cc2nc3ccccc3[nH]2)o1 Show InChI InChI=1S/C17H14N4O2/c1-22-12-8-6-11(7-9-12)17-21-20-16(23-17)10-15-18-13-4-2-3-5-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50232327 (CHEMBL4084249) Show SMILES COc1ccc(cc1)-c1nnc(Cc2nc3ccccc3[nH]2)o1 Show InChI InChI=1S/C17H14N4O2/c1-22-12-8-6-11(7-9-12)17-21-20-16(23-17)10-15-18-13-4-2-3-5-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50232320 (CHEMBL4103370) Show SMILES Clc1ccc(cc1)-c1nnc(Cc2nc3ccccc3[nH]2)o1 Show InChI InChI=1S/C16H11ClN4O/c17-11-7-5-10(6-8-11)16-21-20-15(22-16)9-14-18-12-3-1-2-4-13(12)19-14/h1-8H,9H2,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of HRG stimulated erbB2 phosphorylation in human MCF-7 cells preincubated for 90 mins followed by HRG addition for 5 mins by ELISA method				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM582491 (US11518779, Compound 7) Show SMILES N[C@@H](CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N)OC=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The DNMT1 assays were carried to determine the IC50 with transition state analogs. The reaction (100 μL) containing 50 mM Tris-HCl pH 8.0, 100 m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55SBF
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM582494 (US11518779, Compound 33) Show SMILES N[C@@H](CCN(CCCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OC=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The DNMT1 assays were carried to determine the IC50 with transition state analogs. The reaction (100 μL) containing 50 mM Tris-HCl pH 8.0, 100 m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55SBF
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50232327 (CHEMBL4084249) Show SMILES COc1ccc(cc1)-c1nnc(Cc2nc3ccccc3[nH]2)o1 Show InChI InChI=1S/C17H14N4O2/c1-22-12-8-6-11(7-9-12)17-21-20-16(23-17)10-15-18-13-4-2-3-5-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of HRG stimulated erbB2 phosphorylation in human MCF-7 cells preincubated for 90 mins followed by HRG addition for 5 mins by ELISA method				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50232328 (CHEMBL4084996) Show SMILES Clc1ccc(cc1)-c1nnc(Cc2nc3ccc(Cl)cc3[nH]2)o1 Show InChI InChI=1S/C16H10Cl2N4O/c17-10-3-1-9(2-4-10)16-22-21-15(23-16)8-14-19-12-6-5-11(18)7-13(12)20-14/h1-7H,8H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	979	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50232328 (CHEMBL4084996) Show SMILES Clc1ccc(cc1)-c1nnc(Cc2nc3ccc(Cl)cc3[nH]2)o1 Show InChI InChI=1S/C16H10Cl2N4O/c17-10-3-1-9(2-4-10)16-22-21-15(23-16)8-14-19-12-6-5-11(18)7-13(12)20-14/h1-7H,8H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM582492 (US11518779, Compound 10) Show SMILES Nc1nc(=O)n(cc1CNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 |r,$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The DNMT1 assays were carried to determine the IC50 with transition state analogs. The reaction (100 μL) containing 50 mM Tris-HCl pH 8.0, 100 m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55SBF
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173607 ((Z)-2-((Z)-(Napthalen-1-ylmethylene)hydrazono)thia...) Show SMILES COc1cc(\C=N/N=C2\NC(=O)CS2)c(OC)cc1Br Show InChI InChI=1S/C12H12BrN3O3S/c1-18-9-4-8(13)10(19-2)3-7(9)5-14-16-12-15-11(17)6-20-12/h3-5H,6H2,1-2H3,(H,15,16,17)/b14-5-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM582496 (US11518779, Compound 56) Show SMILES N[C@@H](CCN(CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OC=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The DNMT1 assays were carried to determine the IC50 with transition state analogs. The reaction (100 μL) containing 50 mM Tris-HCl pH 8.0, 100 m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55SBF
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM582497 (US11518779, Compound 70) Show SMILES N[C@@H](CCC(CNCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OC=O |r,w:4.25,$;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The DNMT1 assays were carried to determine the IC50 with transition state analogs. The reaction (100 μL) containing 50 mM Tris-HCl pH 8.0, 100 m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55SBF
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173602 ((Z)-2-((Z)-(1-(2-Bromo-4-nitrophenyl)ethylidene)hy...) Show SMILES C\C(=N\N=C1/NC(=O)CS1)c1ccc(cc1Br)[N+]([O-])=O Show InChI InChI=1S/C11H9BrN4O3S/c1-6(14-15-11-13-10(17)5-20-11)8-3-2-7(16(18)19)4-9(8)12/h2-4H,5H2,1H3,(H,13,15,17)/b14-6-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50232328 (CHEMBL4084996) Show SMILES Clc1ccc(cc1)-c1nnc(Cc2nc3ccc(Cl)cc3[nH]2)o1 Show InChI InChI=1S/C16H10Cl2N4O/c17-10-3-1-9(2-4-10)16-22-21-15(23-16)8-14-19-12-6-5-11(18)7-13(12)20-14/h1-7H,8H2,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of HRG stimulated erbB2 phosphorylation in human MCF-7 cells preincubated for 90 mins followed by HRG addition for 5 mins by ELISA method				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM582493 (US11518779, Compound 21) Show SMILES Nc1nc(=O)n(cc1CSCCC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The DNMT1 assays were carried to determine the IC50 with transition state analogs. The reaction (100 μL) containing 50 mM Tris-HCl pH 8.0, 100 m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55SBF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50232321 (CHEMBL4079125) Show SMILES Clc1ccc(-c2nnc(Cc3nc4ccccc4[nH]3)o2)c(Cl)c1 Show InChI InChI=1S/C16H10Cl2N4O/c17-9-5-6-10(11(18)7-9)16-22-21-15(23-16)8-14-19-12-3-1-2-4-13(12)20-14/h1-7H,8H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50232321 (CHEMBL4079125) Show SMILES Clc1ccc(-c2nnc(Cc3nc4ccccc4[nH]3)o2)c(Cl)c1 Show InChI InChI=1S/C16H10Cl2N4O/c17-9-5-6-10(11(18)7-9)16-22-21-15(23-16)8-14-19-12-3-1-2-4-13(12)20-14/h1-7H,8H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50232324 (CHEMBL4094471) Show SMILES Clc1ccccc1-c1nnc(Cc2nc3ccccc3[nH]2)o1 Show InChI InChI=1S/C16H11ClN4O/c17-11-6-2-1-5-10(11)16-21-20-15(22-16)9-14-18-12-7-3-4-8-13(12)19-14/h1-8H,9H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50232324 (CHEMBL4094471) Show SMILES Clc1ccccc1-c1nnc(Cc2nc3ccccc3[nH]2)o1 Show InChI InChI=1S/C16H11ClN4O/c17-11-6-2-1-5-10(11)16-21-20-15(22-16)9-14-18-12-7-3-4-8-13(12)19-14/h1-8H,9H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50232321 (CHEMBL4079125) Show SMILES Clc1ccc(-c2nnc(Cc3nc4ccccc4[nH]3)o2)c(Cl)c1 Show InChI InChI=1S/C16H10Cl2N4O/c17-9-5-6-10(11(18)7-9)16-22-21-15(23-16)8-14-19-12-3-1-2-4-13(12)20-14/h1-7H,8H2,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of HRG stimulated erbB2 phosphorylation in human MCF-7 cells preincubated for 90 mins followed by HRG addition for 5 mins by ELISA method				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50232344 (CHEMBL4066118) Show SMILES C(c1nc2ccccc2[nH]1)c1nnc(Cc2cccc3ccccc23)o1 Show InChI InChI=1S/C21H16N4O/c1-2-9-16-14(6-1)7-5-8-15(16)12-20-24-25-21(26-20)13-19-22-17-10-3-4-11-18(17)23-19/h1-11H,12-13H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50232344 (CHEMBL4066118) Show SMILES C(c1nc2ccccc2[nH]1)c1nnc(Cc2cccc3ccccc23)o1 Show InChI InChI=1S/C21H16N4O/c1-2-9-16-14(6-1)7-5-8-15(16)12-20-24-25-21(26-20)13-19-22-17-10-3-4-11-18(17)23-19/h1-11H,12-13H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...				Eur J Med Chem 126: 853-869 (2017) Article DOI: 10.1016/j.ejmech.2016.12.014 BindingDB Entry DOI: 10.7270/Q2CR5WKW
					More data for this Ligand-Target Pair
Urease subunit alpha (Bacillus pasteurii)	BDBM173604 ((Z)-2-((Z)-(4-Ethoxy-3-methoxybenzoylidine)hydrazo...) Show SMILES CCOc1ccc(\C=N/N=C2\NC(=O)CS2)cc1OC Show InChI InChI=1S/C13H15N3O3S/c1-3-19-10-5-4-9(6-11(10)18-2)7-14-16-13-15-12(17)8-20-13/h4-7H,3,8H2,1-2H3,(H,15,16,17)/b14-7-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.75E+3	n/a	n/a	n/a	n/a	7.0	n/a
Hazara University					Assay Description This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea ...				Bioorg Chem 63: 123-31 (2015) Article DOI: 10.1016/j.bioorg.2015.10.005 BindingDB Entry DOI: 10.7270/Q2H130RM
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM582498 (US11518779, Compound 86) Show SMILES N[C@@H](CCN(CCCCCN1CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OC=O |r,c:24| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The DNMT1 assays were carried to determine the IC50 with transition state analogs. The reaction (100 μL) containing 50 mM Tris-HCl pH 8.0, 100 m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55SBF
					More data for this Ligand-Target Pair

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