Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'curtis' and Initial = 'd'   

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 mTOR (Mus musculus (Mouse))	BDBM50520437 (CHEMBL4562597) Show SMILES C[C@@H]1COCCN1c1nc(nc2sc(nc12)-c1cc[nH]n1)N1CCCOCC1 |r| Show InChI InChI=1S/C18H23N7O2S/c1-12-11-27-10-7-25(12)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)24-5-2-8-26-9-6-24/h3-4,12H,2,5-11H2,1H3,(H,19,23)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Mus musculus (Mouse))	BDBM50520427 (CHEMBL4470066) Show SMILES CC(C)c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C16H20N6OS/c1-9(2)13-19-14(22-6-7-23-8-10(22)3)12-16(20-13)24-15(18-12)11-4-5-17-21-11/h4-5,9-10H,6-8H2,1-3H3,(H,17,21)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit gamma-1 (Rattus norvegicus)	BDBM50021185 (5-Aminomethyl-4,5-dihydro-isoxazol-3-ol | CHEMBL42...) Show SMILES NC[C@@H]1CC(O)=NO1 |c:5| Show InChI InChI=1S/C4H8N2O2/c5-2-3-1-4(7)6-8-3/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-GABA binding to Gamma-aminobutyric-acid receptor of rat brain synaptic membranes				J Med Chem 28: 1612-7 (1985) BindingDB Entry DOI: 10.7270/Q2PN94NZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Mus musculus (Mouse))	BDBM50520433 (CHEMBL4451234) Show SMILES C[C@@H]1COCCN1c1nc(nc2sc(nc12)-c1cc[nH]n1)N1CCOCC1 |r| Show InChI InChI=1S/C17H21N7O2S/c1-11-10-26-9-6-24(11)14-13-16(27-15(19-13)12-2-3-18-22-12)21-17(20-14)23-4-7-25-8-5-23/h2-3,11H,4-10H2,1H3,(H,18,22)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Mus musculus (Mouse))	BDBM50520428 (CHEMBL4518369) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit gamma-1 (Rattus norvegicus)	BDBM23183 (5-(aminomethyl)-1,2-oxazol-3-ol | Agarin | CHEMBL2...) Show SMILES NCc1cc(=O)[nH]o1 Show InChI InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-GABA binding to Gamma-aminobutyric-acid receptor of rat brain synaptic membranes				J Med Chem 28: 1612-7 (1985) BindingDB Entry DOI: 10.7270/Q2PN94NZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Mus musculus (Mouse))	BDBM50520435 (CHEMBL4442382) Show SMILES C[C@@H]1COCCN1c1nc(nc2sc(nc12)-c1cc[nH]n1)C1CCOCC1 |r| Show InChI InChI=1S/C18H22N6O2S/c1-11-10-26-9-6-24(11)16-14-18(27-17(20-14)13-2-5-19-23-13)22-15(21-16)12-3-7-25-8-4-12/h2,5,11-12H,3-4,6-10H2,1H3,(H,19,23)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Mus musculus (Mouse))	BDBM50520430 (CHEMBL4515125) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cn[nH]n1 |r| Show InChI InChI=1S/C17H22N8O2S/c1-10-8-26-5-3-24(10)14-13-16(28-15(19-13)12-7-18-23-22-12)21-17(20-14)25-4-6-27-9-11(25)2/h7,10-11H,3-6,8-9H2,1-2H3,(H,18,22,23)/t10-,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Mus musculus (Mouse))	BDBM50520431 (CHEMBL4566380) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1c[nH]cn1 |r| Show InChI InChI=1S/C18H23N7O2S/c1-11-8-26-5-3-24(11)15-14-17(28-16(21-14)13-7-19-10-20-13)23-18(22-15)25-4-6-27-9-12(25)2/h7,10-12H,3-6,8-9H2,1-2H3,(H,19,20)/t11-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50520428 (CHEMBL4518369) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR L1460P mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot anal...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50520428 (CHEMBL4518369) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR S2215Y mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot anal...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50520428 (CHEMBL4518369) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot analysis (Rvb = 19...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50520428 (CHEMBL4518369) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR S2215F mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot anal...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50520428 (CHEMBL4518369) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ATM (unknown origin) assessed as reduction in CHK2 phosphorylation by cell based assay				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50520428 (CHEMBL4518369) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR E2419K mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot anal...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50520428 (CHEMBL4518369) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR L2427P mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot anal...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit gamma-1 (Rattus norvegicus)	BDBM24183 (4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...) Show SMILES NCCCC(O)=O Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-GABA binding to Gamma-aminobutyric-acid receptor of rat brain synaptic membranes				J Med Chem 28: 1612-7 (1985) BindingDB Entry DOI: 10.7270/Q2PN94NZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50520428 (CHEMBL4518369) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR C1483Y mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot anal...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Mus musculus (Mouse))	BDBM50520426 (CHEMBL4514031) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc([nH]c2n1)-c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C23H27N7O2/c1-14-12-31-10-8-29(14)22-19-21(27-23(28-22)30-9-11-32-13-15(30)2)26-20(25-19)17-4-3-5-18-16(17)6-7-24-18/h3-7,14-15,24H,8-13H2,1-2H3,(H,25,26,27,28)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR in mouse TSC1-/- MEF cells assessed as inhibition of S6 Ser240/244 phosphorylation incubated for 2 hrs by fluorescence based assay				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Mus musculus (Mouse))	BDBM50520438 (CHEMBL4460774) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-5-3-24(11)15-14-17(28-16(21-14)13-7-19-20-8-13)23-18(22-15)25-4-6-27-10-12(25)2/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16312 ((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...) Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r| Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rabbit lens aldose reductase.				J Med Chem 29: 2347-51 (1986) BindingDB Entry DOI: 10.7270/Q23R0RWW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465930 (CHEMBL4292990) Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1cc2ccccc2cc1O Show InChI InChI=1S/C24H30N4O/c1-23(2)14-18(15-24(3,4)27-23)28(5)22-11-10-20(25-26-22)19-12-16-8-6-7-9-17(16)13-21(19)29/h6-13,18,27,29H,14-15H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Mus musculus (Mouse))	BDBM50520439 (CHEMBL4468727) Show SMILES C[C@@H]1COCCN1c1nc(CN2CCOCC2)nc2sc(nc12)-c1cc[nH]n1 |r| Show InChI InChI=1S/C18H23N7O2S/c1-12-11-27-9-6-25(12)16-15-18(28-17(22-15)13-2-3-19-23-13)21-14(20-16)10-24-4-7-26-8-5-24/h2-3,12H,4-11H2,1H3,(H,19,23)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465915 (CHEMBL4281315) Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1cc2ccccc2s1 Show InChI InChI=1S/C22H28N4S/c1-21(2)13-16(14-22(3,4)25-21)26(5)20-11-10-17(23-24-20)19-12-15-8-6-7-9-18(15)27-19/h6-12,16,25H,13-14H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Mus musculus (Mouse))	BDBM50520434 (CHEMBL4522946) Show SMILES C[C@@H]1COCCN1c1nc(nc2sc(nc12)-c1cc[nH]n1)N1CCN(C)CC1 |r| Show InChI InChI=1S/C18H24N8OS/c1-12-11-27-10-9-26(12)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-7-5-24(2)6-8-25/h3-4,12H,5-11H2,1-2H3,(H,19,23)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50022273 (2-(4-Hydroxy-5-oxo-10,11-dihydro-5H-dibenzo[a,d]cy...) Show SMILES CC(C(O)=O)c1cc(O)c2c(CCc3ccccc3C2=O)c1 Show InChI InChI=1S/C18H16O4/c1-10(18(21)22)13-8-12-7-6-11-4-2-3-5-14(11)17(20)16(12)15(19)9-13/h2-5,8-10,19H,6-7H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rabbit lens aldose reductase.				J Med Chem 29: 2347-51 (1986) BindingDB Entry DOI: 10.7270/Q23R0RWW
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50520428 (CHEMBL4518369) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PDE4D (unknown origin)				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465921 (CHEMBL4288439) Show SMILES CC1(C)CC(CC(C)(C)N1)Oc1ccc(nn1)-c1ccc(cc1O)-n1cccn1 Show InChI InChI=1S/C22H27N5O2/c1-21(2)13-16(14-22(3,4)26-21)29-20-9-8-18(24-25-20)17-7-6-15(12-19(17)28)27-11-5-10-23-27/h5-12,16,26,28H,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit gamma-1 (Rattus norvegicus)	BDBM50021189 (5-Aminomethyl-4,5-dihydro-isoxazol-3-ol | CHEMBL40...) Show SMILES NC[C@H]1CC(O)=NO1 |c:5| Show InChI InChI=1S/C4H8N2O2/c5-2-3-1-4(7)6-8-3/h3H,1-2,5H2,(H,6,7)/t3-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-GABA binding to Gamma-aminobutyric-acid receptor of rat brain synaptic membranes				J Med Chem 28: 1612-7 (1985) BindingDB Entry DOI: 10.7270/Q2PN94NZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465926 (CHEMBL4294614) Show SMILES Oc1cc(ccc1-c1ccc(nn1)N1CCC2(C1)CCCNC2)-c1cn[nH]c1 Show InChI InChI=1S/C21H24N6O/c28-19-10-15(16-11-23-24-12-16)2-3-17(19)18-4-5-20(26-25-18)27-9-7-21(14-27)6-1-8-22-13-21/h2-5,10-12,22,28H,1,6-9,13-14H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Mus musculus (Mouse))	BDBM50520436 (CHEMBL4435029) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cccc(O)c1 |r| Show InChI InChI=1S/C21H25N5O3S/c1-13-11-28-8-6-25(13)18-17-20(24-21(23-18)26-7-9-29-12-14(26)2)30-19(22-17)15-4-3-5-16(27)10-15/h3-5,10,13-14,27H,6-9,11-12H2,1-2H3/t13-,14+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	278	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465919 (CHEMBL4283397) Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)C#N Show InChI InChI=1S/C21H27N5O/c1-20(2)11-15(12-21(3,4)25-20)26(5)19-9-8-17(23-24-19)16-7-6-14(13-22)10-18(16)27/h6-10,15,25,27H,11-12H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465920 (CHEMBL4280558) Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)-n1cccn1 Show InChI InChI=1S/C23H30N6O/c1-22(2)14-17(15-23(3,4)27-22)28(5)21-10-9-19(25-26-21)18-8-7-16(13-20(18)30)29-12-6-11-24-29/h6-13,17,27,30H,14-15H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Mus musculus (Mouse))	BDBM50520429 (CHEMBL4574882) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C23H26N6O2S/c1-14-12-30-10-8-28(14)20-19-22(27-23(26-20)29-9-11-31-13-15(29)2)32-21(25-19)17-4-3-5-18-16(17)6-7-24-18/h3-7,14-15,24H,8-13H2,1-2H3/t14-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	305	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50022265 ((11-Oxo-6,11-dihydro-dibenzo[b,e]oxepin-3-yl)-acet...) Show SMILES OC(=O)Cc1ccc2c(OCc3ccccc3C2=O)c1 Show InChI InChI=1S/C16H12O4/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19/h1-7H,8-9H2,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rabbit lens aldose reductase.				J Med Chem 29: 2347-51 (1986) BindingDB Entry DOI: 10.7270/Q23R0RWW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50520428 (CHEMBL4518369) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	394	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ATR (unknown origin) assessed as reduction in CHK1 phosphorylation by cell based assay				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit gamma-1 (Rattus norvegicus)	BDBM50021186 (4-Amino-3-hydroxy-butyric acid | CHEMBL296263 | S(...) Show SMILES NC[C@@H](O)CC(O)=O Show InChI InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-GABA binding to Gamma-aminobutyric-acid receptor of rat brain synaptic membranes				J Med Chem 28: 1612-7 (1985) BindingDB Entry DOI: 10.7270/Q2PN94NZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465916 (CHEMBL4289183) Show SMILES CC1(C)CC(CC(C)(C)N1)Nc1ccc(nn1)-c1cc2ccccc2s1 Show InChI InChI=1S/C21H26N4S/c1-20(2)12-15(13-21(3,4)25-20)22-19-10-9-16(23-24-19)18-11-14-7-5-6-8-17(14)26-18/h5-11,15,25H,12-13H2,1-4H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Mus musculus (Mouse))	BDBM50520432 (CHEMBL4538499) Show SMILES C[C@@H]1COCCN1c1ncnc2sc(nc12)-c1cc[nH]n1 |r| Show InChI InChI=1S/C13H14N6OS/c1-8-6-20-5-4-19(8)11-10-13(15-7-14-11)21-12(17-10)9-2-3-16-18-9/h2-3,7-8H,4-6H2,1H3,(H,16,18)/t8-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	603	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50022274 ((5-Oxo-5,11-dihydro-10-thia-dibenzo[a,d]cyclohepte...) Show SMILES OC(=O)Cc1ccc2c(SCc3ccccc3C2=O)c1 Show InChI InChI=1S/C16H12O3S/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19/h1-7H,8-9H2,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rabbit lens aldose reductase.				J Med Chem 29: 2347-51 (1986) BindingDB Entry DOI: 10.7270/Q23R0RWW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50022263 ((4-Hydroxy-5-oxo-5H-dibenzo[a,d]cyclohepten-2-yl)-...) Show SMILES OC(=O)Cc1cc(O)c2c(c1)ccc1ccccc1c2=O Show InChI InChI=1S/C17H12O4/c18-14-8-10(9-15(19)20)7-12-6-5-11-3-1-2-4-13(11)17(21)16(12)14/h1-8,18H,9H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rabbit lens aldose reductase.				J Med Chem 29: 2347-51 (1986) BindingDB Entry DOI: 10.7270/Q23R0RWW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50022260 (11,12-Dihydro-3H-1-oxa-benzo[4,5]cyclohepta[1,2-e]...) Show SMILES O=C1Cc2ccc3c(CCc4ccccc4C3=O)c2O1 Show InChI InChI=1S/C17H12O3/c18-15-9-11-6-7-13-14(17(11)20-15)8-5-10-3-1-2-4-12(10)16(13)19/h1-4,6-7H,5,8-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rabbit lens aldose reductase.				J Med Chem 29: 2347-51 (1986) BindingDB Entry DOI: 10.7270/Q23R0RWW
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50520426 (CHEMBL4514031) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc([nH]c2n1)-c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C23H27N7O2/c1-14-12-31-10-8-29(14)22-19-21(27-23(28-22)30-9-11-32-13-15(30)2)26-20(25-19)17-4-3-5-18-16(17)6-7-24-18/h3-7,14-15,24H,8-13H2,1-2H3,(H,25,26,27,28)/t14-,15+/m1/s1	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	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 PI3Kdelta (unknown origin)				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50022264 ((7-Hydroxy-5-oxo-10,11-dihydro-5H-dibenzo[a,d]cycl...) Show SMILES OC(=O)Cc1ccc2c(CCc3ccc(O)cc3C2=O)c1 Show InChI InChI=1S/C17H14O4/c18-13-5-4-11-2-3-12-7-10(8-16(19)20)1-6-14(12)17(21)15(11)9-13/h1,4-7,9,18H,2-3,8H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rabbit lens aldose reductase.				J Med Chem 29: 2347-51 (1986) BindingDB Entry DOI: 10.7270/Q23R0RWW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50022268 ((5-Oxo-5H-dibenzo[a,d]cyclohepten-2-yl)-acetic aci...) Show SMILES OC(=O)Cc1ccc2c(c1)ccc1ccccc1c2=O Show InChI InChI=1S/C17H12O3/c18-16(19)10-11-5-8-15-13(9-11)7-6-12-3-1-2-4-14(12)17(15)20/h1-9H,10H2,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rabbit lens aldose reductase.				J Med Chem 29: 2347-51 (1986) BindingDB Entry DOI: 10.7270/Q23R0RWW
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50520428 (CHEMBL4518369) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of DNAPK (unknown origin)				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465927 (CHEMBL4285798) Show SMILES CC1(C)CC(CC(C)(C)N1)Nc1ccc(nn1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C23H28N4/c1-22(2)14-19(15-23(3,4)27-22)24-21-12-11-20(25-26-21)18-10-9-16-7-5-6-8-17(16)13-18/h5-13,19,27H,14-15H2,1-4H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50520428 (CHEMBL4518369) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin)				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50520426 (CHEMBL4514031) Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc([nH]c2n1)-c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C23H27N7O2/c1-14-12-31-10-8-29(14)22-19-21(27-23(28-22)30-9-11-32-13-15(30)2)26-20(25-19)17-4-3-5-18-16(17)6-7-24-18/h3-7,14-15,24H,8-13H2,1-2H3,(H,25,26,27,28)/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 63: 1068-1083 (2020) Article DOI: 10.1021/acs.jmedchem.9b01398 BindingDB Entry DOI: 10.7270/Q29S1VFW
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Rattus norvegicus)	BDBM50226144 (2,4-Diamino-Butyric Acid | CHEBI:64307 | CHEMBL307...) Show SMILES NCCC(N)C(O)=O Show InChI InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal (synaptosomal) GABA uptake.				J Med Chem 29: 224-9 (1986) BindingDB Entry DOI: 10.7270/Q2FX7CNP
					More data for this Ligand-Target Pair

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