Compile Data Set for Download or QSAR

Found 184 hits with Last Name = 'wei' and Initial = 'ah'   

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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118378 (CHEMBL3612622) Show SMILES Cc1ccc(cc1S(=O)(=O)n1ccc(c1)-c1cnn2ccc(Cl)nc12)[N+]([O-])=O Show InChI InChI=1S/C17H12ClN5O4S/c1-11-2-3-13(23(24)25)8-15(11)28(26,27)21-6-4-12(10-21)14-9-19-22-7-5-16(18)20-17(14)22/h2-10H,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.123	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118375 (CHEMBL3612511) Show SMILES Cc1ccc(cc1S(=O)(=O)NCCc1cnn2ccc(Cl)nc12)[N+]([O-])=O Show InChI InChI=1S/C15H14ClN5O4S/c1-10-2-3-12(21(22)23)8-13(10)26(24,25)18-6-4-11-9-17-20-7-5-14(16)19-15(11)20/h2-3,5,7-9,18H,4,6H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.166	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118344 (CHEMBL3612513) Show SMILES CN(CCc1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)C#N Show InChI InChI=1S/C17H16ClN5O2S/c1-12-3-4-13(10-19)9-15(12)26(24,25)22(2)7-5-14-11-20-23-8-6-16(18)21-17(14)23/h3-4,6,8-9,11H,5,7H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.177	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118334 (CHEMBL3612507) Show SMILES CN(\N=C\c1cnn2ccc(nc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H13N7O4S/c1-11-3-4-14(23(24)25)7-15(11)28(26,27)21(2)18-9-12-10-19-22-6-5-13(8-17)20-16(12)22/h3-7,9-10H,1-2H3/b18-9+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.212	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118376 (CHEMBL3612512) Show SMILES CN(CCc1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H16ClN5O4S/c1-11-3-4-13(22(23)24)9-14(11)27(25,26)20(2)7-5-12-10-18-21-8-6-15(17)19-16(12)21/h3-4,6,8-10H,5,7H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.374	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM25036 (CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...) Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) by radiometric assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118224 (CHEMBL3612503) Show SMILES CN(\N=C\c1cnn2ccc(C)nc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H16N6O4S/c1-11-4-5-14(22(23)24)8-15(11)27(25,26)20(3)17-9-13-10-18-21-7-6-12(2)19-16(13)21/h4-10H,1-3H3/b17-9+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.762	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118372 (CHEMBL3612508) Show SMILES COc1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C16H16N6O5S/c1-11-4-5-13(22(23)24)8-14(11)28(25,26)20(2)17-9-12-10-18-21-7-6-15(27-3)19-16(12)21/h4-10H,1-3H3/b17-9+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118377 (CHEMBL3612515) Show SMILES Cc1ccc(cc1S(=O)(=O)n1ccc(n1)-c1cnn2ccc(Cl)nc12)[N+]([O-])=O Show InChI InChI=1S/C16H11ClN6O4S/c1-10-2-3-11(23(24)25)8-14(10)28(26,27)22-7-4-13(20-22)12-9-18-21-6-5-15(17)19-16(12)21/h2-9H,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM25036 (CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...) Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118345 (CHEMBL3612514) Show SMILES Cc1ccc(cc1S(=O)(=O)n1cc(cn1)-c1cnn2ccc(Cl)nc12)[N+]([O-])=O Show InChI InChI=1S/C16H11ClN6O4S/c1-10-2-3-12(23(24)25)6-14(10)28(26,27)22-9-11(7-19-22)13-8-18-21-5-4-15(17)20-16(13)21/h2-9H,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118236 (CHEMBL3612504) Show SMILES COc1ccc(cc1OC)-c1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C23H22N6O6S/c1-15-5-7-18(29(30)31)12-22(15)36(32,33)27(2)24-13-17-14-25-28-10-9-19(26-23(17)28)16-6-8-20(34-3)21(11-16)35-4/h5-14H,1-4H3/b24-13+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM25036 (CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...) Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118241 (CHEMBL3612505) Show SMILES CN(\N=C\c1cnn2ccc(nc12)-c1cccnc1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C20H17N7O4S/c1-14-5-6-17(27(28)29)10-19(14)32(30,31)25(2)22-12-16-13-23-26-9-7-18(24-20(16)26)15-4-3-8-21-11-15/h3-13H,1-2H3/b22-12+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118259 (CHEMBL3612506) Show SMILES COc1ccc(cn1)-c1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C21H19N7O5S/c1-14-4-6-17(28(29)30)10-19(14)34(31,32)26(2)23-12-16-13-24-27-9-8-18(25-21(16)27)15-5-7-20(33-3)22-11-15/h4-13H,1-3H3/b23-12+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118373 (CHEMBL3612509) Show SMILES CN(C)c1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C17H19N7O4S/c1-12-5-6-14(24(25)26)9-15(12)29(27,28)22(4)18-10-13-11-19-23-8-7-16(21(2)3)20-17(13)23/h5-11H,1-4H3/b18-10+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118374 (CHEMBL3612510) Show SMILES CN(\N=C\c1cnn2ccc(nc12)N1CCOCC1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C19H21N7O5S/c1-14-3-4-16(26(27)28)11-17(14)32(29,30)23(2)20-12-15-13-21-25-6-5-18(22-19(15)25)24-7-9-31-10-8-24/h3-6,11-13H,7-10H2,1-2H3/b20-12+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118370 (CHEMBL3612501) Show SMILES CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1Cl)[N+]([O-])=O Show InChI InChI=1S/C14H10Cl2N6O4S/c1-20(17-7-9-8-18-21-5-4-13(16)19-14(9)21)27(25,26)12-6-10(22(23)24)2-3-11(12)15/h2-8H,1H3/b17-7+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50118212 (CHEMBL3612498) Show SMILES CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)C#N Show InChI InChI=1S/C16H13ClN6O2S/c1-11-3-4-12(8-18)7-14(11)26(24,25)22(2)19-9-13-10-20-23-6-5-15(17)21-16(13)23/h3-7,9-10H,1-2H3/b19-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50118370 (CHEMBL3612501) Show SMILES CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1Cl)[N+]([O-])=O Show InChI InChI=1S/C14H10Cl2N6O4S/c1-20(17-7-9-8-18-21-5-4-13(16)19-14(9)21)27(25,26)12-6-10(22(23)24)2-3-11(12)15/h2-8H,1H3/b17-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) by radiometric assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118346 (CHEMBL3612482) Show SMILES CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C15H13ClN6O4S/c1-10-3-4-12(22(23)24)7-13(10)27(25,26)20(2)17-8-11-9-18-21-6-5-14(16)19-15(11)21/h3-9H,1-2H3/b17-8+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118212 (CHEMBL3612498) Show SMILES CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)C#N Show InChI InChI=1S/C16H13ClN6O2S/c1-11-3-4-12(8-18)7-14(11)26(24,25)22(2)19-9-13-10-20-23-6-5-15(17)21-16(13)23/h3-7,9-10H,1-2H3/b19-9+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50118334 (CHEMBL3612507) Show SMILES CN(\N=C\c1cnn2ccc(nc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H13N7O4S/c1-11-3-4-14(23(24)25)7-15(11)28(26,27)21(2)18-9-12-10-19-22-6-5-13(8-17)20-16(12)22/h3-7,9-10H,1-2H3/b18-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50118370 (CHEMBL3612501) Show SMILES CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1Cl)[N+]([O-])=O Show InChI InChI=1S/C14H10Cl2N6O4S/c1-20(17-7-9-8-18-21-5-4-13(16)19-14(9)21)27(25,26)12-6-10(22(23)24)2-3-11(12)15/h2-8H,1H3/b17-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50118371 (CHEMBL3612502) Show SMILES COc1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(Cl)nc12)[N+]([O-])=O Show InChI InChI=1S/C15H13ClN6O5S/c1-20(17-8-10-9-18-21-6-5-14(16)19-15(10)21)28(25,26)13-7-11(22(23)24)3-4-12(13)27-2/h3-9H,1-2H3/b17-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) by radiometric assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118357 (CHEMBL3612489) Show SMILES CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cccc(c1)C#N Show InChI InChI=1S/C15H11ClN6O2S/c1-21(25(23,24)13-4-2-3-11(7-13)8-17)18-9-12-10-19-22-6-5-14(16)20-15(12)22/h2-7,9-10H,1H3/b18-9+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50118346 (CHEMBL3612482) Show SMILES CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C15H13ClN6O4S/c1-10-3-4-12(22(23)24)7-13(10)27(25,26)20(2)17-8-11-9-18-21-6-5-14(16)19-15(11)21/h3-9H,1-2H3/b17-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118371 (CHEMBL3612502) Show SMILES COc1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(Cl)nc12)[N+]([O-])=O Show InChI InChI=1S/C15H13ClN6O5S/c1-20(17-8-10-9-18-21-6-5-14(16)19-15(10)21)28(25,26)13-7-11(22(23)24)3-4-12(13)27-2/h3-9H,1-2H3/b17-8+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50339127 ((3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-d...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of BSEP (unknown origin) expressed in HEK293 cells using [3H]taurocholic acid substrate				J Med Chem 57: 8503-16 (2014) Article DOI: 10.1021/jm500862r BindingDB Entry DOI: 10.7270/Q2HM5B1Z
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118352 (CHEMBL3612485) Show SMILES CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C14H11ClN6O4S/c1-19(26(24,25)12-4-2-3-11(7-12)21(22)23)16-8-10-9-17-20-6-5-13(15)18-14(10)20/h2-9H,1H3/b16-8+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50118378 (CHEMBL3612622) Show SMILES Cc1ccc(cc1S(=O)(=O)n1ccc(c1)-c1cnn2ccc(Cl)nc12)[N+]([O-])=O Show InChI InChI=1S/C17H12ClN5O4S/c1-11-2-3-13(23(24)25)8-15(11)28(26,27)21-6-4-12(10-21)14-9-19-22-7-5-16(18)20-17(14)22/h2-10H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) by radiometric assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50118371 (CHEMBL3612502) Show SMILES COc1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(Cl)nc12)[N+]([O-])=O Show InChI InChI=1S/C15H13ClN6O5S/c1-20(17-8-10-9-18-21-6-5-14(16)19-15(10)21)28(25,26)13-7-11(22(23)24)3-4-12(13)27-2/h3-9H,1-2H3/b17-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50339127 ((3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-d...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using [3H]estradiol-17beta-glucuronide substrate				J Med Chem 57: 8503-16 (2014) Article DOI: 10.1021/jm500862r BindingDB Entry DOI: 10.7270/Q2HM5B1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50118345 (CHEMBL3612514) Show SMILES Cc1ccc(cc1S(=O)(=O)n1cc(cn1)-c1cnn2ccc(Cl)nc12)[N+]([O-])=O Show InChI InChI=1S/C16H11ClN6O4S/c1-10-2-3-12(23(24)25)6-14(10)28(26,27)22-9-11(7-19-22)13-8-18-21-5-4-15(17)20-16(13)21/h2-9H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) by radiometric assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50118334 (CHEMBL3612507) Show SMILES CN(\N=C\c1cnn2ccc(nc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H13N7O4S/c1-11-3-4-14(23(24)25)7-15(11)28(26,27)21(2)18-9-12-10-19-22-6-5-13(8-17)20-16(12)22/h3-7,9-10H,1-2H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) by radiometric assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50118357 (CHEMBL3612489) Show SMILES CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cccc(c1)C#N Show InChI InChI=1S/C15H11ClN6O2S/c1-21(25(23,24)13-4-2-3-11(7-13)8-17)18-9-12-10-19-22-6-5-14(16)20-15(12)22/h2-7,9-10H,1H3/b18-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50118344 (CHEMBL3612513) Show SMILES CN(CCc1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)C#N Show InChI InChI=1S/C17H16ClN5O2S/c1-12-3-4-13(10-19)9-15(12)26(24,25)22(2)7-5-14-11-20-23-8-6-16(18)21-17(14)23/h3-4,6,8-9,11H,5,7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50118241 (CHEMBL3612505) Show SMILES CN(\N=C\c1cnn2ccc(nc12)-c1cccnc1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C20H17N7O4S/c1-14-5-6-17(27(28)29)10-19(14)32(30,31)25(2)22-12-16-13-23-26-9-7-18(24-20(16)26)15-4-3-8-21-11-15/h3-13H,1-2H3/b22-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (Homo sapiens (Human))	BDBM50339127 ((3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-d...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of OATP1B3 (unknown origin) expressed in HEK293 cells using [3H]estradiol-17beta-glucuronide substrate				J Med Chem 57: 8503-16 (2014) Article DOI: 10.1021/jm500862r BindingDB Entry DOI: 10.7270/Q2HM5B1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50118236 (CHEMBL3612504) Show SMILES COc1ccc(cc1OC)-c1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C23H22N6O6S/c1-15-5-7-18(29(30)31)12-22(15)36(32,33)27(2)24-13-17-14-25-28-10-9-19(26-23(17)28)16-6-8-20(34-3)21(11-16)35-4/h5-14H,1-4H3/b24-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	233	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) by radiometric assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50118376 (CHEMBL3612512) Show SMILES CN(CCc1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H16ClN5O4S/c1-11-3-4-13(22(23)24)9-14(11)27(25,26)20(2)7-5-12-10-18-21-8-6-15(17)19-16(12)21/h3-4,6,8-10H,5,7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	265	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50118346 (CHEMBL3612482) Show SMILES CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C15H13ClN6O4S/c1-10-3-4-12(22(23)24)7-13(10)27(25,26)20(2)17-8-11-9-18-21-6-5-14(16)19-15(11)21/h3-9H,1-2H3/b17-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	271	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) by radiometric assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50118352 (CHEMBL3612485) Show SMILES CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C14H11ClN6O4S/c1-19(26(24,25)12-4-2-3-11(7-12)21(22)23)16-8-10-9-17-20-6-5-13(15)18-14(10)20/h2-9H,1H3/b16-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	291	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50118372 (CHEMBL3612508) Show SMILES COc1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C16H16N6O5S/c1-11-4-5-13(22(23)24)8-14(11)28(25,26)20(2)17-9-12-10-18-21-7-6-15(27-3)19-16(12)21/h4-10H,1-3H3/b17-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	327	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) by radiometric assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50118224 (CHEMBL3612503) Show SMILES CN(\N=C\c1cnn2ccc(C)nc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H16N6O4S/c1-11-4-5-14(22(23)24)8-15(11)27(25,26)20(3)17-9-13-10-18-21-7-6-12(2)19-16(13)21/h4-10H,1-3H3/b17-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	379	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50339127 ((3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-d...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDA T0.3 cells using rhodamine 123 substrate				J Med Chem 57: 8503-16 (2014) Article DOI: 10.1021/jm500862r BindingDB Entry DOI: 10.7270/Q2HM5B1Z
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50339127 ((3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-d...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of OATP1B1 (unknown origin) expressed in CHO cells using 8-fluorescein-cAMP substrate by fluorescent photometry				J Med Chem 57: 8503-16 (2014) Article DOI: 10.1021/jm500862r BindingDB Entry DOI: 10.7270/Q2HM5B1Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50118346 (CHEMBL3612482) Show SMILES CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C15H13ClN6O4S/c1-10-3-4-12(22(23)24)7-13(10)27(25,26)20(2)17-8-11-9-18-21-6-5-14(16)19-15(11)21/h3-9H,1-2H3/b17-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	841	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin) by radiometric assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (Homo sapiens (Human))	BDBM50030493 (CHEMBL3344501 | US9566312, Compound 2.17.4) Show SMILES [H][C@@]1([C@@H](C)CN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C |r| Show InChI InChI=1S/C69H125N13O13/c1-26-28-29-45(13)58(83)57-62(87)72-50(27-2)65(90)74(18)49(17)64(89)79(23)56(46(14)39-82-32-30-81(31-33-82)34-35-95-25)61(86)73-54(43(9)10)68(93)75(19)51(36-40(3)4)60(85)70-47(15)59(84)71-48(16)63(88)76(20)52(37-41(5)6)66(91)77(21)53(38-42(7)8)67(92)78(22)55(44(11)12)69(94)80(57)24/h26,28,40-58,83H,27,29-39H2,1-25H3,(H,70,85)(H,71,84)(H,72,87)(H,73,86)/b28-26+/t45-,46+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of OATP1B3 (unknown origin) expressed in HEK293 cells using [3H]estradiol-17beta-glucuronide substrate				J Med Chem 57: 8503-16 (2014) Article DOI: 10.1021/jm500862r BindingDB Entry DOI: 10.7270/Q2HM5B1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50118375 (CHEMBL3612511) Show SMILES Cc1ccc(cc1S(=O)(=O)NCCc1cnn2ccc(Cl)nc12)[N+]([O-])=O Show InChI InChI=1S/C15H14ClN5O4S/c1-10-2-3-12(21(22)23)8-13(10)26(24,25)18-6-4-11-9-17-20-7-5-14(16)19-15(11)20/h2-3,5,7-9,18H,4,6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) by radiometric assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair

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