Compile Data Set for Download or QSAR

Found 12 hits of ec50 for UniProtKB: P28472   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta (Homo sapiens (Human))	BDBM50191342 (3alpha-hydroxy-5alpha-pregnan-20-one | CHEMBL20753...) Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	76	n/a	n/a	n/a	n/a
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States. Curated by ChEMBL					Assay Description Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i...				J Med Chem 60: 7810-7819 (2017) Article DOI: 10.1021/acs.jmedchem.7b00846 BindingDB Entry DOI: 10.7270/Q2ZK5K4W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta (Homo sapiens (Human))	BDBM50258254 (CHEMBL4073780) Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3ccc(n3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)10-7-18-16(13-24)3-4-20-19(18)8-11-25(2)21(20)5-6-22(25)23(29)15-28-12-9-17(14-26)27-28/h9,12,16,18-22,30H,3-8,10-11,13,15H2,1-2H3/t16-,18+,19-,20-,21+,22-,24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States. Curated by ChEMBL					Assay Description Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i...				J Med Chem 60: 7810-7819 (2017) Article DOI: 10.1021/acs.jmedchem.7b00846 BindingDB Entry DOI: 10.7270/Q2ZK5K4W
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta (Homo sapiens (Human))	BDBM50258255 (CHEMBL4062424) Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3ncc(C)n3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C24H37N3O2/c1-15-13-25-27(26-15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3/t16-,17+,18-,19-,20+,21-,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	192	n/a	n/a	n/a	n/a
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States. Curated by ChEMBL					Assay Description Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i...				J Med Chem 60: 7810-7819 (2017) Article DOI: 10.1021/acs.jmedchem.7b00846 BindingDB Entry DOI: 10.7270/Q2ZK5K4W
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta (Homo sapiens (Human))	BDBM50258256 (CHEMBL3427532) Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3nccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3/t15-,16+,17-,18-,19+,20-,22-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States. Curated by ChEMBL					Assay Description Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i...				J Med Chem 60: 7810-7819 (2017) Article DOI: 10.1021/acs.jmedchem.7b00846 BindingDB Entry DOI: 10.7270/Q2ZK5K4W
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta (Homo sapiens (Human))	BDBM50258216 (CHEMBL4105630) Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	299	n/a	n/a	n/a	n/a
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States. Curated by ChEMBL					Assay Description Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i...				J Med Chem 60: 7810-7819 (2017) Article DOI: 10.1021/acs.jmedchem.7b00846 BindingDB Entry DOI: 10.7270/Q2ZK5K4W
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta (Homo sapiens (Human))	BDBM50258248 (CHEMBL4084134) Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@](O)(COC)CC[C@]12[H] |r| Show InChI InChI=1S/C26H37N3O3/c1-25-9-7-20-19-8-10-26(31,16-32-2)11-18(19)3-4-21(20)22(25)5-6-23(25)24(30)15-29-14-17(12-27)13-28-29/h13-14,18-23,31H,3-11,15-16H2,1-2H3/t18-,19+,20-,21-,22+,23-,25+,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	577	n/a	n/a	n/a	n/a
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States. Curated by ChEMBL					Assay Description Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i...				J Med Chem 60: 7810-7819 (2017) Article DOI: 10.1021/acs.jmedchem.7b00846 BindingDB Entry DOI: 10.7270/Q2ZK5K4W
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta (Homo sapiens (Human))	BDBM50258253 (CHEMBL4085062) Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(Cl)cn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C24H35ClN2O2/c1-23(29)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(28)14-27-13-16(25)12-26-27/h12-13,15,17-21,29H,3-11,14H2,1-2H3/t15-,17+,18-,19-,20+,21-,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	744	n/a	n/a	n/a	n/a
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States. Curated by ChEMBL					Assay Description Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i...				J Med Chem 60: 7810-7819 (2017) Article DOI: 10.1021/acs.jmedchem.7b00846 BindingDB Entry DOI: 10.7270/Q2ZK5K4W
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta (Homo sapiens (Human))	BDBM50258217 (CHEMBL3427530) Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3/t16-,17+,18-,19-,20+,21-,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States. Curated by ChEMBL					Assay Description Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i...				J Med Chem 60: 7810-7819 (2017) Article DOI: 10.1021/acs.jmedchem.7b00846 BindingDB Entry DOI: 10.7270/Q2ZK5K4W
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta (Homo sapiens (Human))	BDBM50258252 (CHEMBL4073679) Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(C)cn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H38N2O2/c1-16-13-26-27(14-16)15-23(28)22-7-6-21-20-5-4-17-12-24(2,29)10-8-18(17)19(20)9-11-25(21,22)3/h13-14,17-22,29H,4-12,15H2,1-3H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States. Curated by ChEMBL					Assay Description Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i...				J Med Chem 60: 7810-7819 (2017) Article DOI: 10.1021/acs.jmedchem.7b00846 BindingDB Entry DOI: 10.7270/Q2ZK5K4W
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta (Homo sapiens (Human))	BDBM50258229 (CHEMBL4103751) Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C(F)(F)F)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35F3N2O2/c1-23(32)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(31)14-30-13-16(12-29-30)25(26,27)28/h12-13,15,17-21,32H,3-11,14H2,1-2H3/t15-,17+,18-,19-,20+,21-,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States. Curated by ChEMBL					Assay Description Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i...				J Med Chem 60: 7810-7819 (2017) Article DOI: 10.1021/acs.jmedchem.7b00846 BindingDB Entry DOI: 10.7270/Q2ZK5K4W
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta (Homo sapiens (Human))	BDBM50258249 (CHEMBL4080678) Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3nncc3C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C24H37N3O2/c1-15-13-25-26-27(15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3/t16-,17+,18-,19-,20+,21-,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States. Curated by ChEMBL					Assay Description Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i...				J Med Chem 60: 7810-7819 (2017) Article DOI: 10.1021/acs.jmedchem.7b00846 BindingDB Entry DOI: 10.7270/Q2ZK5K4W
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta (Homo sapiens (Human))	BDBM50258243 (CHEMBL4081622) Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(OC)cn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H38N2O3/c1-24(29)10-8-18-16(12-24)4-5-20-19(18)9-11-25(2)21(20)6-7-22(25)23(28)15-27-14-17(30-3)13-26-27/h13-14,16,18-22,29H,4-12,15H2,1-3H3/t16-,18+,19-,20-,21+,22-,24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.05E+3	n/a	n/a	n/a	n/a
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States. Curated by ChEMBL					Assay Description Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i...				J Med Chem 60: 7810-7819 (2017) Article DOI: 10.1021/acs.jmedchem.7b00846 BindingDB Entry DOI: 10.7270/Q2ZK5K4W
					More data for this Ligand-Target Pair