Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'strickley' and Initial = 'rg'   

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
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153690 (US10507215, Compound 7 | US9000015, 7 | US9610299,...) Show SMILES Fc1ccc(F)c(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c1Cl Show InChI InChI=1S/C19H13ClF2N2O2/c20-18-15(22)6-5-14(21)17(18)19(26)24-10-11-1-3-12(4-2-11)13-7-8-23-16(25)9-13/h1-9H,10H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9610299 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZPV
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153687 (US10507215, Compound 4 | US9000015, 4) Show SMILES Cc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C20H17ClN2O2/c1-13-3-2-4-17(21)19(13)20(25)23-12-14-5-7-15(8-6-14)16-9-10-22-18(24)11-16/h2-11H,12H2,1H3,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Amygdala Neurosciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US10507215 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VRG
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153687 (US10507215, Compound 4 | US9000015, 4) Show SMILES Cc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C20H17ClN2O2/c1-13-3-2-4-17(21)19(13)20(25)23-12-14-5-7-15(8-6-14)16-9-10-22-18(24)11-16/h2-11H,12H2,1H3,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9000015 (2015) BindingDB Entry DOI: 10.7270/Q28S4NNX
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153696 (US10507215, Compound 13 | US9000015, 13 | US961029...) Show SMILES Fc1c[nH]c(=O)cc1-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C19H13Cl2FN2O2/c20-14-2-1-3-15(21)18(14)19(26)24-9-11-4-6-12(7-5-11)13-8-17(25)23-10-16(13)22/h1-8,10H,9H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Amygdala Neurosciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US10507215 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VRG
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153696 (US10507215, Compound 13 | US9000015, 13 | US961029...) Show SMILES Fc1c[nH]c(=O)cc1-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C19H13Cl2FN2O2/c20-14-2-1-3-15(21)18(14)19(26)24-9-11-4-6-12(7-5-11)13-8-17(25)23-10-16(13)22/h1-8,10H,9H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9610299 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZPV
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153696 (US10507215, Compound 13 | US9000015, 13 | US961029...) Show SMILES Fc1c[nH]c(=O)cc1-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C19H13Cl2FN2O2/c20-14-2-1-3-15(21)18(14)19(26)24-9-11-4-6-12(7-5-11)13-8-17(25)23-10-16(13)22/h1-8,10H,9H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9000015 (2015) BindingDB Entry DOI: 10.7270/Q28S4NNX
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153684 (US10507215, Compound 1 | US9000015, 1 | US9610299,...) Show SMILES COCCOc1cc(Cl)c(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c(Cl)c1 Show InChI InChI=1S/C22H20Cl2N2O4/c1-29-8-9-30-17-11-18(23)21(19(24)12-17)22(28)26-13-14-2-4-15(5-3-14)16-6-7-25-20(27)10-16/h2-7,10-12H,8-9,13H2,1H3,(H,25,27)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9610299 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZPV
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153684 (US10507215, Compound 1 | US9000015, 1 | US9610299,...) Show SMILES COCCOc1cc(Cl)c(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c(Cl)c1 Show InChI InChI=1S/C22H20Cl2N2O4/c1-29-8-9-30-17-11-18(23)21(19(24)12-17)22(28)26-13-14-2-4-15(5-3-14)16-6-7-25-20(27)10-16/h2-7,10-12H,8-9,13H2,1H3,(H,25,27)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Amygdala Neurosciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US10507215 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VRG
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153684 (US10507215, Compound 1 | US9000015, 1 | US9610299,...) Show SMILES COCCOc1cc(Cl)c(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c(Cl)c1 Show InChI InChI=1S/C22H20Cl2N2O4/c1-29-8-9-30-17-11-18(23)21(19(24)12-17)22(28)26-13-14-2-4-15(5-3-14)16-6-7-25-20(27)10-16/h2-7,10-12H,8-9,13H2,1H3,(H,25,27)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9000015 (2015) BindingDB Entry DOI: 10.7270/Q28S4NNX
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153685 (US10507215, Compound 2 | US9000015, 2 | US9610299,...) Show SMILES Clc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C19H14Cl2N2O2/c20-15-2-1-3-16(21)18(15)19(25)23-11-12-4-6-13(7-5-12)14-8-9-22-17(24)10-14/h1-10H,11H2,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	102	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9000015 (2015) BindingDB Entry DOI: 10.7270/Q28S4NNX
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153685 (US10507215, Compound 2 | US9000015, 2 | US9610299,...) Show SMILES Clc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C19H14Cl2N2O2/c20-15-2-1-3-16(21)18(15)19(25)23-11-12-4-6-13(7-5-12)14-8-9-22-17(24)10-14/h1-10H,11H2,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Amygdala Neurosciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US10507215 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VRG
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153685 (US10507215, Compound 2 | US9000015, 2 | US9610299,...) Show SMILES Clc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C19H14Cl2N2O2/c20-15-2-1-3-16(21)18(15)19(25)23-11-12-4-6-13(7-5-12)14-8-9-22-17(24)10-14/h1-10H,11H2,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9610299 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZPV
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153688 (US10507215, Compound 5 | US9000015, 5) Show SMILES Cc1cccc(C)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C21H20N2O2/c1-14-4-3-5-15(2)20(14)21(25)23-13-16-6-8-17(9-7-16)18-10-11-22-19(24)12-18/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	166	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9000015 (2015) BindingDB Entry DOI: 10.7270/Q28S4NNX
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153697 (US10507215, Compound 14 | US9000015, 14 | US961029...) Show SMILES OP(O)(=O)OCn1ccc(cc1=O)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C20H17Cl2N2O6P/c21-16-2-1-3-17(22)19(16)20(26)23-11-13-4-6-14(7-5-13)15-8-9-24(18(25)10-15)12-30-31(27,28)29/h1-10H,11-12H2,(H,23,26)(H2,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9610299 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZPV
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153688 (US10507215, Compound 5 | US9000015, 5) Show SMILES Cc1cccc(C)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C21H20N2O2/c1-14-4-3-5-15(2)20(14)21(25)23-13-16-6-8-17(9-7-16)18-10-11-22-19(24)12-18/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Amygdala Neurosciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US10507215 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VRG
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153686 (US10507215, Compound 3 | US9000015, 3 | US9610299,...) Show SMILES Fc1cccc(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c1Cl Show InChI InChI=1S/C19H14ClFN2O2/c20-18-15(2-1-3-16(18)21)19(25)23-11-12-4-6-13(7-5-12)14-8-9-22-17(24)10-14/h1-10H,11H2,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9610299 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZPV
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153686 (US10507215, Compound 3 | US9000015, 3 | US9610299,...) Show SMILES Fc1cccc(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c1Cl Show InChI InChI=1S/C19H14ClFN2O2/c20-18-15(2-1-3-16(18)21)19(25)23-11-12-4-6-13(7-5-12)14-8-9-22-17(24)10-14/h1-10H,11H2,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	215	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9000015 (2015) BindingDB Entry DOI: 10.7270/Q28S4NNX
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153686 (US10507215, Compound 3 | US9000015, 3 | US9610299,...) Show SMILES Fc1cccc(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c1Cl Show InChI InChI=1S/C19H14ClFN2O2/c20-18-15(2-1-3-16(18)21)19(25)23-11-12-4-6-13(7-5-12)14-8-9-22-17(24)10-14/h1-10H,11H2,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Amygdala Neurosciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US10507215 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VRG
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153695 (US10507215, Compound 12 | US9000015, 12 | US961029...) Show SMILES Fc1cc(ccc1CNC(=O)c1c(Cl)cccc1Cl)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C19H13Cl2FN2O2/c20-14-2-1-3-15(21)18(14)19(26)24-10-13-5-4-11(8-16(13)22)12-6-7-23-17(25)9-12/h1-9H,10H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	304	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9000015 (2015) BindingDB Entry DOI: 10.7270/Q28S4NNX
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153695 (US10507215, Compound 12 | US9000015, 12 | US961029...) Show SMILES Fc1cc(ccc1CNC(=O)c1c(Cl)cccc1Cl)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C19H13Cl2FN2O2/c20-14-2-1-3-15(21)18(14)19(26)24-10-13-5-4-11(8-16(13)22)12-6-7-23-17(25)9-12/h1-9H,10H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	304	n/a	n/a	n/a	n/a	n/a	n/a
Amygdala Neurosciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US10507215 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VRG
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153695 (US10507215, Compound 12 | US9000015, 12 | US961029...) Show SMILES Fc1cc(ccc1CNC(=O)c1c(Cl)cccc1Cl)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C19H13Cl2FN2O2/c20-14-2-1-3-15(21)18(14)19(26)24-10-13-5-4-11(8-16(13)22)12-6-7-23-17(25)9-12/h1-9H,10H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	304	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9610299 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZPV
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153694 (US10507215, Compound 11 | US9000015, 11 | US961029...) Show SMILES Fc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C19H14ClFN2O2/c20-15-2-1-3-16(21)18(15)19(25)23-11-12-4-6-13(7-5-12)14-8-9-22-17(24)10-14/h1-10H,11H2,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	379	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9000015 (2015) BindingDB Entry DOI: 10.7270/Q28S4NNX
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153694 (US10507215, Compound 11 | US9000015, 11 | US961029...) Show SMILES Fc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C19H14ClFN2O2/c20-15-2-1-3-16(21)18(15)19(25)23-11-12-4-6-13(7-5-12)14-8-9-22-17(24)10-14/h1-10H,11H2,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	379	n/a	n/a	n/a	n/a	n/a	n/a
Amygdala Neurosciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US10507215 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VRG
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153694 (US10507215, Compound 11 | US9000015, 11 | US961029...) Show SMILES Fc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C19H14ClFN2O2/c20-15-2-1-3-16(21)18(15)19(25)23-11-12-4-6-13(7-5-12)14-8-9-22-17(24)10-14/h1-10H,11H2,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	379	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9610299 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZPV
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50447466 (CHEMBL3115191) Show SMILES CC(C)c1nc(CN(C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C38H46N8O4S2/c1-26(2)36-43-32(23-51-36)21-46(3)37(48)45-34(18-31-19-39-24-41-31)35(47)42-29(16-27-10-6-4-7-11-27)14-15-30(17-28-12-8-5-9-13-28)44-38(49)50-22-33-20-40-25-52-33/h4-13,19-20,23-26,29-30,34H,14-18,21-22H2,1-3H3,(H,39,41)(H,42,47)(H,44,49)(H,45,48)/t29-,30-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 24: 995-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.057 BindingDB Entry DOI: 10.7270/Q2P270M7
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153690 (US10507215, Compound 7 | US9000015, 7 | US9610299,...) Show SMILES Fc1ccc(F)c(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c1Cl Show InChI InChI=1S/C19H13ClF2N2O2/c20-18-15(22)6-5-14(21)17(18)19(26)24-10-11-1-3-12(4-2-11)13-7-8-23-16(25)9-13/h1-9H,10H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	464	n/a	n/a	n/a	n/a	n/a	n/a
Amygdala Neurosciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US10507215 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VRG
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153690 (US10507215, Compound 7 | US9000015, 7 | US9610299,...) Show SMILES Fc1ccc(F)c(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c1Cl Show InChI InChI=1S/C19H13ClF2N2O2/c20-18-15(22)6-5-14(21)17(18)19(26)24-10-11-1-3-12(4-2-11)13-7-8-23-16(25)9-13/h1-9H,10H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	464	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9000015 (2015) BindingDB Entry DOI: 10.7270/Q28S4NNX
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153690 (US10507215, Compound 7 | US9000015, 7 | US9610299,...) Show SMILES Fc1ccc(F)c(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c1Cl Show InChI InChI=1S/C19H13ClF2N2O2/c20-18-15(22)6-5-14(21)17(18)19(26)24-10-11-1-3-12(4-2-11)13-7-8-23-16(25)9-13/h1-9H,10H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	464	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9610299 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZPV
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153691 (US10507215, Compound 8 | US9000015, 8 | US9610299,...) Show SMILES Cc1cc(CNC(=O)c2c(Cl)cccc2Cl)ccc1-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C20H16Cl2N2O2/c1-12-9-13(5-6-15(12)14-7-8-23-18(25)10-14)11-24-20(26)19-16(21)3-2-4-17(19)22/h2-10H,11H2,1H3,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9610299 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZPV
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153691 (US10507215, Compound 8 | US9000015, 8 | US9610299,...) Show SMILES Cc1cc(CNC(=O)c2c(Cl)cccc2Cl)ccc1-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C20H16Cl2N2O2/c1-12-9-13(5-6-15(12)14-7-8-23-18(25)10-14)11-24-20(26)19-16(21)3-2-4-17(19)22/h2-10H,11H2,1H3,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Amygdala Neurosciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US10507215 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VRG
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153691 (US10507215, Compound 8 | US9000015, 8 | US9610299,...) Show SMILES Cc1cc(CNC(=O)c2c(Cl)cccc2Cl)ccc1-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C20H16Cl2N2O2/c1-12-9-13(5-6-15(12)14-7-8-23-18(25)10-14)11-24-20(26)19-16(21)3-2-4-17(19)22/h2-10H,11H2,1H3,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	480	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9000015 (2015) BindingDB Entry DOI: 10.7270/Q28S4NNX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50447469 (CHEMBL3115185) Show SMILES CC(C)c1nc(CN(C)C(=O)N[C@@H](Cc2cn(C)cn2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C39H48N8O4S2/c1-27(2)37-43-33(24-52-37)22-47(4)38(49)45-35(19-32-21-46(3)25-41-32)36(48)42-30(17-28-11-7-5-8-12-28)15-16-31(18-29-13-9-6-10-14-29)44-39(50)51-23-34-20-40-26-53-34/h5-14,20-21,24-27,30-31,35H,15-19,22-23H2,1-4H3,(H,42,48)(H,44,50)(H,45,49)/t30-,31-,35+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 24: 995-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.057 BindingDB Entry DOI: 10.7270/Q2P270M7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50447467 (CHEMBL3115188) Show SMILES CC(C)c1nc(CN(C)C(=O)N[C@@H](CCNC(C)=O)C(=O)N[C@@H](CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C38H49N7O5S2/c1-26(2)36-42-32(24-51-36)22-45(4)37(48)44-34(17-18-40-27(3)46)35(47)41-30(19-28-11-7-5-8-12-28)15-16-31(20-29-13-9-6-10-14-29)43-38(49)50-23-33-21-39-25-52-33/h5-14,21,24-26,30-31,34H,15-20,22-23H2,1-4H3,(H,40,46)(H,41,47)(H,43,49)(H,44,48)/t30-,31-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 24: 995-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.057 BindingDB Entry DOI: 10.7270/Q2P270M7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50447472 (CHEMBL3115177) Show SMILES CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C36H47N7O4S2/c1-25(2)34-40-30(23-48-34)21-43(3)35(45)42-32(16-17-37)33(44)39-28(18-26-10-6-4-7-11-26)14-15-29(19-27-12-8-5-9-13-27)41-36(46)47-22-31-20-38-24-49-31/h4-13,20,23-25,28-29,32H,14-19,21-22,37H2,1-3H3,(H,39,44)(H,41,46)(H,42,45)/t28-,29-,32+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 24: 995-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.057 BindingDB Entry DOI: 10.7270/Q2P270M7
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153693 (US10507215, Compound 10 | US9000015, 10 | US961029...) Show SMILES Fc1cccc(F)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C19H14F2N2O2/c20-15-2-1-3-16(21)18(15)19(25)23-11-12-4-6-13(7-5-12)14-8-9-22-17(24)10-14/h1-10H,11H2,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9610299 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZPV
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153693 (US10507215, Compound 10 | US9000015, 10 | US961029...) Show SMILES Fc1cccc(F)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C19H14F2N2O2/c20-15-2-1-3-16(21)18(15)19(25)23-11-12-4-6-13(7-5-12)14-8-9-22-17(24)10-14/h1-10H,11H2,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Amygdala Neurosciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US10507215 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VRG
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153693 (US10507215, Compound 10 | US9000015, 10 | US961029...) Show SMILES Fc1cccc(F)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C19H14F2N2O2/c20-15-2-1-3-16(21)18(15)19(25)23-11-12-4-6-13(7-5-12)14-8-9-22-17(24)10-14/h1-10H,11H2,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	890	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9000015 (2015) BindingDB Entry DOI: 10.7270/Q28S4NNX
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM314091 (2,6-dimethyl-N-(4-(2-oxopiperidin-4-yl)benzyl)benz...) Show SMILES Cc1cccc(C)c1C(=O)NCc1ccc(cc1)C1CCNC(=O)C1 Show InChI InChI=1S/C21H24N2O2/c1-14-4-3-5-15(2)20(14)21(25)23-13-16-6-8-17(9-7-16)18-10-11-22-19(24)12-18/h3-9,18H,10-13H2,1-2H3,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9610299 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZPV
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153689 (US10507215, Compound 6 | US9000015, 6) Show SMILES Cc1cc(cc(=O)[nH]1)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C20H16Cl2N2O2/c1-12-9-15(10-18(25)24-12)14-7-5-13(6-8-14)11-23-20(26)19-16(21)3-2-4-17(19)22/h2-10H,11H2,1H3,(H,23,26)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9000015 (2015) BindingDB Entry DOI: 10.7270/Q28S4NNX
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153689 (US10507215, Compound 6 | US9000015, 6) Show SMILES Cc1cc(cc(=O)[nH]1)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C20H16Cl2N2O2/c1-12-9-15(10-18(25)24-12)14-7-5-13(6-8-14)11-23-20(26)19-16(21)3-2-4-17(19)22/h2-10H,11H2,1H3,(H,23,26)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amygdala Neurosciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US10507215 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VRG
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50447470 (CHEMBL3115180) Show SMILES CC(C)c1nc(CN(C)C(=O)N[C@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 24: 995-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.057 BindingDB Entry DOI: 10.7270/Q2P270M7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50447468 (CHEMBL3115187) Show SMILES CC(C)c1nc(CN(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C35H44N6O5S2/c1-24(2)33-38-29(22-47-33)19-41(3)34(44)40-31(20-42)32(43)37-27(16-25-10-6-4-7-11-25)14-15-28(17-26-12-8-5-9-13-26)39-35(45)46-21-30-18-36-23-48-30/h4-13,18,22-24,27-28,31,42H,14-17,19-21H2,1-3H3,(H,37,43)(H,39,45)(H,40,44)/t27-,28-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 24: 995-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.057 BindingDB Entry DOI: 10.7270/Q2P270M7
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153692 (US10507215, Compound 9 | US9000015, 9 | US9610299,...) Show SMILES Cn1ccc(cc1=O)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C20H16Cl2N2O2/c1-24-10-9-15(11-18(24)25)14-7-5-13(6-8-14)12-23-20(26)19-16(21)3-2-4-17(19)22/h2-11H,12H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9610299 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZPV
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153692 (US10507215, Compound 9 | US9000015, 9 | US9610299,...) Show SMILES Cn1ccc(cc1=O)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C20H16Cl2N2O2/c1-24-10-9-15(11-18(24)25)14-7-5-13(6-8-14)12-23-20(26)19-16(21)3-2-4-17(19)22/h2-11H,12H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9000015 (2015) BindingDB Entry DOI: 10.7270/Q28S4NNX
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153692 (US10507215, Compound 9 | US9000015, 9 | US9610299,...) Show SMILES Cn1ccc(cc1=O)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C20H16Cl2N2O2/c1-24-10-9-15(11-18(24)25)14-7-5-13(6-8-14)12-23-20(26)19-16(21)3-2-4-17(19)22/h2-11H,12H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amygdala Neurosciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US10507215 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VRG
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50447466 (CHEMBL3115191) Show SMILES CC(C)c1nc(CN(C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C38H46N8O4S2/c1-26(2)36-43-32(23-51-36)21-46(3)37(48)45-34(18-31-19-39-24-41-31)35(47)42-29(16-27-10-6-4-7-11-27)14-15-30(17-28-12-8-5-9-13-28)44-38(49)50-22-33-20-40-25-52-33/h4-13,19-20,23-26,29-30,34H,14-18,21-22H2,1-3H3,(H,39,41)(H,42,47)(H,44,49)(H,45,48)/t29-,30-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 24: 995-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.057 BindingDB Entry DOI: 10.7270/Q2P270M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50447469 (CHEMBL3115185) Show SMILES CC(C)c1nc(CN(C)C(=O)N[C@@H](Cc2cn(C)cn2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C39H48N8O4S2/c1-27(2)37-43-33(24-52-37)22-47(4)38(49)45-35(19-32-21-46(3)25-41-32)36(48)42-30(17-28-11-7-5-8-12-28)15-16-31(18-29-13-9-6-10-14-29)44-39(50)51-23-34-20-40-26-53-34/h5-14,20-21,24-27,30-31,35H,15-19,22-23H2,1-4H3,(H,42,48)(H,44,50)(H,45,49)/t30-,31-,35+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 24: 995-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.057 BindingDB Entry DOI: 10.7270/Q2P270M7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50447470 (CHEMBL3115180) Show SMILES CC(C)c1nc(CN(C)C(=O)N[C@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 24: 995-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.057 BindingDB Entry DOI: 10.7270/Q2P270M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50447469 (CHEMBL3115185) Show SMILES CC(C)c1nc(CN(C)C(=O)N[C@@H](Cc2cn(C)cn2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C39H48N8O4S2/c1-27(2)37-43-33(24-52-37)22-47(4)38(49)45-35(19-32-21-46(3)25-41-32)36(48)42-30(17-28-11-7-5-8-12-28)15-16-31(18-29-13-9-6-10-14-29)44-39(50)51-23-34-20-40-26-53-34/h5-14,20-21,24-27,30-31,35H,15-19,22-23H2,1-4H3,(H,42,48)(H,44,50)(H,45,49)/t30-,31-,35+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 24: 995-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.057 BindingDB Entry DOI: 10.7270/Q2P270M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50447466 (CHEMBL3115191) Show SMILES CC(C)c1nc(CN(C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C38H46N8O4S2/c1-26(2)36-43-32(23-51-36)21-46(3)37(48)45-34(18-31-19-39-24-41-31)35(47)42-29(16-27-10-6-4-7-11-27)14-15-30(17-28-12-8-5-9-13-28)44-38(49)50-22-33-20-40-25-52-33/h4-13,19-20,23-26,29-30,34H,14-18,21-22H2,1-3H3,(H,39,41)(H,42,47)(H,44,49)(H,45,48)/t29-,30-,34-/m0/s1	PDB MMDB Reactome pathway KEGG 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
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 24: 995-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.057 BindingDB Entry DOI: 10.7270/Q2P270M7
					More data for this Ligand-Target Pair

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