Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'nielsen' and Initial = 'jo'   

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/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50537125 (CHEMBL1851667) Show SMILES OC(=O)CCCn1nc(ccc1=N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C21H21N3O3/c22-20-13-12-19(23-24(20)14-4-7-21(25)26)17-8-10-18(11-9-17)27-15-16-5-2-1-3-6-16/h1-3,5-6,8-13,22H,4,7,14-15H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...				J Med Chem 62: 2798-2813 (2019) Article DOI: 10.1021/acs.jmedchem.9b00131 BindingDB Entry DOI: 10.7270/Q2D2225V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50378769 (CHEMBL1204074) Show SMILES On1ncc(C2CCNCC2)c1-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H21N3O/c24-23-20(19(14-22-23)16-9-11-21-12-10-16)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...				J Med Chem 62: 2798-2813 (2019) Article DOI: 10.1021/acs.jmedchem.9b00131 BindingDB Entry DOI: 10.7270/Q2D2225V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50378763 (CHEMBL1204077) Show SMILES On1cc(C2CCNCC2)c(n1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H21N3O/c24-23-14-19(16-9-11-21-12-10-16)20(22-23)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...				J Med Chem 62: 2798-2813 (2019) Article DOI: 10.1021/acs.jmedchem.9b00131 BindingDB Entry DOI: 10.7270/Q2D2225V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50001572 ((gabazine)4-[6-Imino-3-(4-methoxy-phenyl)-6H-pyrid...) Show SMILES COc1ccc(cc1)-c1ccc(=N)n(CCCC(O)=O)n1 Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...				J Med Chem 62: 2798-2813 (2019) Article DOI: 10.1021/acs.jmedchem.9b00131 BindingDB Entry DOI: 10.7270/Q2D2225V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50537127 (CHEMBL4589563) Show SMILES OC(=O)CCCn1nc(ccc1=N)-c1cccc(O)c1 Show InChI InChI=1S/C14H15N3O3/c15-13-7-6-12(10-3-1-4-11(18)9-10)16-17(13)8-2-5-14(19)20/h1,3-4,6-7,9,15,18H,2,5,8H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...				J Med Chem 62: 2798-2813 (2019) Article DOI: 10.1021/acs.jmedchem.9b00131 BindingDB Entry DOI: 10.7270/Q2D2225V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50537127 (CHEMBL4589563) Show SMILES OC(=O)CCCn1nc(ccc1=N)-c1cccc(O)c1 Show InChI InChI=1S/C14H15N3O3/c15-13-7-6-12(10-3-1-4-11(18)9-10)16-17(13)8-2-5-14(19)20/h1,3-4,6-7,9,15,18H,2,5,8H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...				J Med Chem 62: 2798-2813 (2019) Article DOI: 10.1021/acs.jmedchem.9b00131 BindingDB Entry DOI: 10.7270/Q2D2225V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50537128 (CHEMBL4586737) Show SMILES OC(=O)CCCn1nc(ccc1=N)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C14H14N4O4/c15-13-7-6-12(16-17(13)8-2-5-14(19)20)10-3-1-4-11(9-10)18(21)22/h1,3-4,6-7,9,15H,2,5,8H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...				J Med Chem 62: 2798-2813 (2019) Article DOI: 10.1021/acs.jmedchem.9b00131 BindingDB Entry DOI: 10.7270/Q2D2225V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50537128 (CHEMBL4586737) Show SMILES OC(=O)CCCn1nc(ccc1=N)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C14H14N4O4/c15-13-7-6-12(16-17(13)8-2-5-14(19)20)10-3-1-4-11(9-10)18(21)22/h1,3-4,6-7,9,15H,2,5,8H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...				J Med Chem 62: 2798-2813 (2019) Article DOI: 10.1021/acs.jmedchem.9b00131 BindingDB Entry DOI: 10.7270/Q2D2225V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50537129 (CHEMBL4515872) Show SMILES OC(=O)CCCn1nc(ccc1=N)-c1ccc(O)cc1 Show InChI InChI=1S/C14H15N3O3/c15-13-8-7-12(10-3-5-11(18)6-4-10)16-17(13)9-1-2-14(19)20/h3-8,15,18H,1-2,9H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...				J Med Chem 62: 2798-2813 (2019) Article DOI: 10.1021/acs.jmedchem.9b00131 BindingDB Entry DOI: 10.7270/Q2D2225V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50537129 (CHEMBL4515872) Show SMILES OC(=O)CCCn1nc(ccc1=N)-c1ccc(O)cc1 Show InChI InChI=1S/C14H15N3O3/c15-13-8-7-12(10-3-5-11(18)6-4-10)16-17(13)9-1-2-14(19)20/h3-8,15,18H,1-2,9H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...				J Med Chem 62: 2798-2813 (2019) Article DOI: 10.1021/acs.jmedchem.9b00131 BindingDB Entry DOI: 10.7270/Q2D2225V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50537126 (CHEMBL4543048) Show SMILES OC(=O)CCCn1nc(ccc1=N)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C14H14N4O4/c15-13-8-7-12(16-17(13)9-1-2-14(19)20)10-3-5-11(6-4-10)18(21)22/h3-8,15H,1-2,9H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...				J Med Chem 62: 2798-2813 (2019) Article DOI: 10.1021/acs.jmedchem.9b00131 BindingDB Entry DOI: 10.7270/Q2D2225V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50537124 (CHEMBL4570040) Show SMILES Nc1cccc(c1)-c1ccc(=N)n(CCCC(O)=O)n1 Show InChI InChI=1S/C14H16N4O2/c15-11-4-1-3-10(9-11)12-6-7-13(16)18(17-12)8-2-5-14(19)20/h1,3-4,6-7,9,16H,2,5,8,15H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...				J Med Chem 62: 2798-2813 (2019) Article DOI: 10.1021/acs.jmedchem.9b00131 BindingDB Entry DOI: 10.7270/Q2D2225V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50537126 (CHEMBL4543048) Show SMILES OC(=O)CCCn1nc(ccc1=N)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C14H14N4O4/c15-13-8-7-12(16-17(13)9-1-2-14(19)20)10-3-5-11(6-4-10)18(21)22/h3-8,15H,1-2,9H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...				J Med Chem 62: 2798-2813 (2019) Article DOI: 10.1021/acs.jmedchem.9b00131 BindingDB Entry DOI: 10.7270/Q2D2225V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50537124 (CHEMBL4570040) Show SMILES Nc1cccc(c1)-c1ccc(=N)n(CCCC(O)=O)n1 Show InChI InChI=1S/C14H16N4O2/c15-11-4-1-3-10(9-11)12-6-7-13(16)18(17-12)8-2-5-14(19)20/h1,3-4,6-7,9,16H,2,5,8,15H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane pote...				J Med Chem 62: 2798-2813 (2019) Article DOI: 10.1021/acs.jmedchem.9b00131 BindingDB Entry DOI: 10.7270/Q2D2225V
					More data for this Ligand-Target Pair