Compile Data Set for Download or QSAR

Found 276 hits with Last Name = 'nozulak' and Initial = 'j'   

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
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337263 (3-(2-chlorobenzyloxy)-2-(2-fluorophenyl)-2H-pyrazo...) Show SMILES Fc1ccccc1-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c24-18-9-3-1-7-15(18)14-29-23-17-13-26-20-11-5-2-8-16(20)22(17)27-28(23)21-12-6-4-10-19(21)25/h1-13H,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM84957 (CGS 9896 | CHEMBL20042) Show SMILES Clc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O Show InChI InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	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]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50337263 (3-(2-chlorobenzyloxy)-2-(2-fluorophenyl)-2H-pyrazo...) Show SMILES Fc1ccccc1-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c24-18-9-3-1-7-15(18)14-29-23-17-13-26-20-11-5-2-8-16(20)22(17)27-28(23)21-12-6-4-10-19(21)25/h1-13H,14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	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]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM84957 (CGS 9896 | CHEMBL20042) Show SMILES Clc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O Show InChI InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	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]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187784 (US9670193, 36 3-chloro-N-(1-(pyridin-4-yl)ethyl)-5...) Show SMILES CC(Nc1ncc(cc1Cl)-c1noc(n1)C(F)(F)F)c1ccncc1 Show InChI InChI=1S/C15H11ClF3N5O/c1-8(9-2-4-20-5-3-9)22-13-11(16)6-10(7-21-13)12-23-14(25-24-12)15(17,18)19/h2-8H,1H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM20625 (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) Show SMILES CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	0.0200	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187643 (US9670193, 35 3-chloro-N-(pyridin-4-ylmethyl)-5-(5...) Show SMILES FC(F)(F)c1nc(no1)-c1cnc(NCc2ccncc2)c(Cl)c1 Show InChI InChI=1S/C14H9ClF3N5O/c15-10-5-9(11-22-13(24-23-11)14(16,17)18)7-21-12(10)20-6-8-1-3-19-4-2-8/h1-5,7H,6H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20625 (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) Show SMILES CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	12	n/a	0.0600	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187543 (US9670193, 21 (R)?N-(1-(benzyl(methyl)amino)propan...) Show SMILES C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(nc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N5O2/c1-13(11-28(2)12-14-6-4-3-5-7-14)25-18(29)15-8-9-16(24-10-15)17-26-19(30-27-17)20(21,22)23/h3-10,13H,11-12H2,1-2H3,(H,25,29)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187802 (US9670193, 37 3-chloro-N-(pyridin-3-ylmethyl)-5-(5...) Show SMILES FC(F)(F)c1nc(no1)-c1cnc(NCc2cccnc2)c(Cl)c1 Show InChI InChI=1S/C14H9ClF3N5O/c15-10-4-9(11-22-13(24-23-11)14(16,17)18)7-21-12(10)20-6-8-2-1-3-19-5-8/h1-5,7H,6H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187232 (US9670193, 15 N-(1-(pyridin-4-yl)propyl)-5-(5-(tri...) Show SMILES CCC(Nc1ncc(cn1)-c1noc(n1)C(F)(F)F)c1ccncc1 Show InChI InChI=1S/C15H13F3N6O/c1-2-11(9-3-5-19-6-4-9)22-14-20-7-10(8-21-14)12-23-13(25-24-12)15(16,17)18/h3-8,11H,2H2,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187803 (US9670193, 38 3-Chloro-N-((6-methylpyridin-3-yl)me...) Show SMILES Cc1ccc(CNc2ncc(cc2Cl)-c2noc(n2)C(F)(F)F)cn1 Show InChI InChI=1S/C15H11ClF3N5O/c1-8-2-3-9(5-20-8)6-21-13-11(16)4-10(7-22-13)12-23-14(25-24-12)15(17,18)19/h2-5,7H,6H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187219 (US9670193, 9 N-(1-(pyridin-4-yl)ethyl)-5-(5-(trifl...) Show SMILES CC(Nc1ncc(cn1)-c1noc(n1)C(F)(F)F)c1ccncc1 Show InChI InChI=1S/C14H11F3N6O/c1-8(9-2-4-18-5-3-9)21-13-19-6-10(7-20-13)11-22-12(24-23-11)14(15,16)17/h2-8H,1H3,(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187223 (US9670193, 13 (R)?N-(1-phenylpropyl)-5-(5-(trifluo...) Show SMILES CC[C@@H](Nc1ncc(cn1)-c1noc(n1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C16H14F3N5O/c1-2-12(10-6-4-3-5-7-10)22-15-20-8-11(9-21-15)13-23-14(25-24-13)16(17,18)19/h3-9,12H,2H2,1H3,(H,20,21,22)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	24	n/a	0.0200	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	24	n/a	0.0700	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187218 (US9670193, 8 N-((6-methylpyridin-3-yl)methyl)-5-(5...) Show SMILES Cc1ccc(CNc2ncc(cn2)-c2noc(n2)C(F)(F)F)cn1 Show InChI InChI=1S/C14H11F3N6O/c1-8-2-3-9(4-18-8)5-19-13-20-6-10(7-21-13)11-22-12(24-23-11)14(15,16)17/h2-4,6-7H,5H2,1H3,(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187628 (US9670193, 29 N-(1-phenylethyl)-5-(5-(trifluoromet...) Show SMILES CC(Nc1ccc(cn1)-c1noc(n1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C16H13F3N4O/c1-10(11-5-3-2-4-6-11)21-13-8-7-12(9-20-13)14-22-15(24-23-14)16(17,18)19/h2-10H,1H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187565 (US9670193, 23 (R)?N-(1-(diethylamino)propan-2-yl)-...) Show SMILES CCN(CC)C[C@@H](C)NC(=O)c1ccc(nc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C16H20F3N5O2/c1-4-24(5-2)9-10(3)21-14(25)11-6-7-12(20-8-11)13-22-15(26-23-13)16(17,18)19/h6-8,10H,4-5,9H2,1-3H3,(H,21,25)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM188028 (US9670193, 44 (R)?N-(Pyridin-4-yl)ethyl)-5-(5-trif...) Show SMILES C[C@@H](Nc1ccc(cn1)-c1noc(n1)C(F)(F)F)c1ccncc1 |r| Show InChI InChI=1S/C15H12F3N5O/c1-9(10-4-6-19-7-5-10)21-12-3-2-11(8-20-12)13-22-14(24-23-13)15(16,17)18/h2-9H,1H3,(H,20,21)/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187244 (US9670193, 17 N-methyl-N-((2-methylpyridin-4-yl)me...) Show SMILES CN(Cc1ccnc(C)c1)c1ncc(cn1)-c1noc(n1)C(F)(F)F Show InChI InChI=1S/C15H13F3N6O/c1-9-5-10(3-4-19-9)8-24(2)14-20-6-11(7-21-14)12-22-13(25-23-12)15(16,17)18/h3-7H,8H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187213 (US9670193, 4 N-benzyl-5-(5-(trifluoromethyl)-1,2,4...) Show SMILES FC(F)(F)c1nc(no1)-c1cnc(NCc2ccccc2)nc1 Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)12-21-11(22-23-12)10-7-19-13(20-8-10)18-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187804 (US9670193, 39 3-chloro-N-(pyridin-2-ylmethyl)-5-(5...) Show SMILES FC(F)(F)c1nc(no1)-c1cnc(NCc2ccccn2)c(Cl)c1 Show InChI InChI=1S/C14H9ClF3N5O/c15-10-5-8(11-22-13(24-23-11)14(16,17)18)6-20-12(10)21-7-9-3-1-2-4-19-9/h1-6H,7H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187187 (US9670193, 3 N-methyl-N-(pyridin-4-ylmethyl)-5-(5-...) Show SMILES CN(Cc1ccncc1)c1ncc(cn1)-c1noc(n1)C(F)(F)F Show InChI InChI=1S/C14H11F3N6O/c1-23(8-9-2-4-18-5-3-9)13-19-6-10(7-20-13)11-21-12(24-22-11)14(15,16)17/h2-7H,8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187214 (US9670193, 5 N-((2-chloropyridin-4-yl)methyl)-N-me...) Show SMILES CN(Cc1ccnc(Cl)c1)c1ncc(cn1)-c1noc(n1)C(F)(F)F Show InChI InChI=1S/C14H10ClF3N6O/c1-24(7-8-2-3-19-10(15)4-8)13-20-5-9(6-21-13)11-22-12(25-23-11)14(16,17)18/h2-6H,7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187638 (US9670193, 31 N-(pyridin-4-ylmethyl)-5-(5-(trifluo...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2ccncc2)nc1 Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)13-21-12(22-23-13)10-1-2-11(20-8-10)19-7-9-3-5-18-6-4-9/h1-6,8H,7H2,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187242 (US9670193, 16 N-(1-(2-methylpyridin-4-yl)ethyl)-5-...) Show SMILES CC(Nc1ncc(cn1)-c1noc(n1)C(F)(F)F)c1ccnc(C)c1 Show InChI InChI=1S/C15H13F3N6O/c1-8-5-10(3-4-19-8)9(2)22-14-20-6-11(7-21-14)12-23-13(25-24-12)15(16,17)18/h3-7,9H,1-2H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187215 (US9670193, 6 N-(pyridin-4-ylmethyl)-5-(5-(trifluor...) Show SMILES FC(F)(F)c1nc(no1)-c1cnc(NCc2ccncc2)nc1 Show InChI InChI=1S/C13H9F3N6O/c14-13(15,16)11-21-10(22-23-11)9-6-19-12(20-7-9)18-5-8-1-3-17-4-2-8/h1-4,6-7H,5H2,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337265 (3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-6,7,8,9-t...) Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1OCc1ccccc1Cl Show InChI InChI=1S/C23H19Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	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]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187642 (US9670193, 34 (R)-3-chloro-N-(1-phenylethyl)-5-(5-...) Show SMILES C[C@@H](Nc1ncc(cc1Cl)-c1noc(n1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C16H12ClF3N4O/c1-9(10-5-3-2-4-6-10)22-14-12(17)7-11(8-21-14)13-23-15(25-24-13)16(18,19)20/h2-9H,1H3,(H,21,22)/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187222 (US9670193, 12 (R)?N-(1-phenylethyl)-5-(5-(trifluor...) Show SMILES C[C@@H](Nc1ncc(cn1)-c1noc(n1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C15H12F3N5O/c1-9(10-5-3-2-4-6-10)21-14-19-7-11(8-20-14)12-22-13(24-23-12)15(16,17)18/h2-9H,1H3,(H,19,20,21)/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	49	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337264 (2-(benzo[d][1,3]dioxol-5-yl)-3-(2-chlorobenzyloxy)...) Show SMILES Clc1ccccc1COc1n(nc2c1cnc1ccccc21)-c1ccc2OCOc2c1 Show InChI InChI=1S/C24H16ClN3O3/c25-19-7-3-1-5-15(19)13-29-24-18-12-26-20-8-4-2-6-17(20)23(18)27-28(24)16-9-10-21-22(11-16)31-14-30-21/h1-12H,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337271 (2-(4-chlorophenyl)-3-(4-fluorobenzyloxy)-6,7,8,9-t...) Show SMILES Fc1ccc(COc2n(nc3c4CCCCc4ncc23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H19ClFN3O/c24-16-7-11-18(12-8-16)28-23(29-14-15-5-9-17(25)10-6-15)20-13-26-21-4-2-1-3-19(21)22(20)27-28/h5-13H,1-4,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50337271 (2-(4-chlorophenyl)-3-(4-fluorobenzyloxy)-6,7,8,9-t...) Show SMILES Fc1ccc(COc2n(nc3c4CCCCc4ncc23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H19ClFN3O/c24-16-7-11-18(12-8-16)28-23(29-14-15-5-9-17(25)10-6-15)20-13-26-21-4-2-1-3-19(21)22(20)27-28/h5-13H,1-4,14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	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]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM188006 (US9670193, 41 (R)?N-(1-Phenylethyl)-2-(5-(trifluor...) Show SMILES C[C@@H](Nc1cnc(nc1)-c1noc(n1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C15H12F3N5O/c1-9(10-5-3-2-4-6-10)21-11-7-19-12(20-8-11)13-22-14(24-23-13)15(16,17)18/h2-9,21H,1H3/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187639 (US9670193, 32 N-((6-methylpyridin-3-yl)methyl)-5-(...) Show SMILES Cc1ccc(CNc2ccc(cn2)-c2noc(n2)C(F)(F)F)cn1 Show InChI InChI=1S/C15H12F3N5O/c1-9-2-3-10(6-19-9)7-20-12-5-4-11(8-21-12)13-22-14(24-23-13)15(16,17)18/h2-6,8H,7H2,1H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337274 (3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-2H-pyrazo...) Show SMILES Clc1ccc(cc1)-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl Show InChI InChI=1S/C23H15Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1-13H,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	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]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337270 (2-(4-chlorophenyl)-3-(2-fluorobenzyloxy)-6,7,8,9-t...) Show SMILES Fc1ccccc1COc1n(nc2c3CCCCc3ncc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19ClFN3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	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]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM188029 (US9670193, 45 (R)?N-(1-(Pyridin-4-yl)ethyl)-6-(5-(...) Show SMILES C[C@@H](Nc1ccc(nn1)-c1noc(n1)C(F)(F)F)c1ccncc1 |r| Show InChI InChI=1S/C14H11F3N6O/c1-8(9-4-6-18-7-5-9)19-11-3-2-10(21-22-11)12-20-13(24-23-12)14(15,16)17/h2-8H,1H3,(H,19,22)/t8-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	65	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM188075 (US9670193, 46 (R)?N-(1-(benzyl(methyl)amino)propan...) Show SMILES C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cnc(nc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H19F3N6O2/c1-12(10-28(2)11-13-6-4-3-5-7-13)25-17(29)14-8-23-15(24-9-14)16-26-18(30-27-16)19(20,21)22/h3-9,12H,10-11H2,1-2H3,(H,25,29)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	66	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337268 (3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-8,8-dimet...) Show SMILES CC1(C)CCc2ncc3c(OCc4ccccc4Cl)n(nc3c2C1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H23Cl2N3O/c1-25(2)12-11-22-19(13-25)23-20(14-28-22)24(31-15-16-5-3-4-6-21(16)27)30(29-23)18-9-7-17(26)8-10-18/h3-10,14H,11-13,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	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]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187617 (US9670193, 28 N-benzyl-5-(5-(trifluoromethyl)-1,2,...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2ccccc2)nc1 Show InChI InChI=1S/C15H11F3N4O/c16-15(17,18)14-21-13(22-23-14)11-6-7-12(20-9-11)19-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	73	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337272 (2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-2H-pyraz...) Show SMILES Clc1ccc(cc1)-n1nc2c(cnc3ccccc23)c1OCC1CC1 Show InChI InChI=1S/C20H16ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h1-4,7-11,13H,5-6,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	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]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187629 (US9670193, 30 N-(pyridin-3-ylmethyl)-5-(5-(trifluo...) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(NCc2cccnc2)nc1 Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)13-21-12(22-23-13)10-3-4-11(20-8-10)19-7-9-2-1-5-18-6-9/h1-6,8H,7H2,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	79	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187640 (US9670193, 33 N-benzyl-3-chloro-5-(5-(trifluoromet...) Show SMILES FC(F)(F)c1nc(no1)-c1cnc(NCc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C15H10ClF3N4O/c16-11-6-10(12-22-14(24-23-12)15(17,18)19)8-21-13(11)20-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337275 (2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-...) Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1OCC1CC1 Show InChI InChI=1S/C20H20ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h7-11,13H,1-6,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	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]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187224 (US9670193, 14 N-methyl-N-(2-(pyridin-4-yl)ethyl)-5...) Show SMILES CN(CCc1ccncc1)c1ncc(cn1)-c1noc(n1)C(F)(F)F Show InChI InChI=1S/C15H13F3N6O/c1-24(7-4-10-2-5-19-6-3-10)14-20-8-11(9-21-14)12-22-13(25-23-12)15(16,17)18/h2-3,5-6,8-9H,4,7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM20628 (2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...) Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	114	n/a	17	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM20629 (2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol ...) Show SMILES Oc1ccc2cc(sc2c1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C14H9FO2S/c15-11-5-8(2-4-12(11)17)13-6-9-1-3-10(16)7-14(9)18-13/h1-7,16-17H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	32	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665
					More data for this Ligand-Target Pair

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