Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'johnston' and Initial = 'ga'   

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
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143115 (3-Phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3...) Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C21H15N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-13H,14H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to recombinant human GABA-A alpha5beta3gamma2 receptor expressed in L(tk) cells				Eur J Med Chem 171: 434-461 (2019) Article DOI: 10.1016/j.ejmech.2019.03.043 BindingDB Entry DOI: 10.7270/Q2125X0P
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143115 (3-Phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3...) Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C21H15N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-13H,14H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to recombinant human GABA-A alpha3beta3gamma2 receptor expressed in L(tk) cells				Eur J Med Chem 171: 434-461 (2019) Article DOI: 10.1016/j.ejmech.2019.03.043 BindingDB Entry DOI: 10.7270/Q2125X0P
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50162235 (6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccccn1 |(.38,-2.64,;-.97,-1.89,;-.97,-.33,;.37,.41,;.37,1.98,;1.5,2.99,;.89,4.4,;-.62,4.25,;-.97,2.73,;-2.28,1.95,;-3.63,2.65,;-2.98,1.21,;-4.57,1.21,;-3.61,-.36,;-4.96,.41,;-4.96,1.95,;-2.28,.41,;2.99,2.58,;3.39,1.12,;4.86,.72,;5.96,1.8,;5.54,3.29,;4.07,3.69,;.38,-4.18,;-.97,-4.95,;-.97,-6.49,;.37,-7.26,;1.71,-6.49,;1.69,-4.95,)| Show InChI InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)21-25-26-22-19-15-9-11-16(12-10-15)20(19)23(27-28(21)22)29-14-18-8-4-5-13-24-18/h1-8,13,15-16H,9-12,14H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to recombinant human GABA-A alpha5beta3gamma2 receptor expressed in L(tk) cells				Eur J Med Chem 171: 434-461 (2019) Article DOI: 10.1016/j.ejmech.2019.03.043 BindingDB Entry DOI: 10.7270/Q2125X0P
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50156083 (3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...) Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-A alpha5beta3gamma2 receptor expressed in mouse L(tk-) cells by radioligand binding assay				Eur J Med Chem 171: 434-461 (2019) Article DOI: 10.1016/j.ejmech.2019.03.043 BindingDB Entry DOI: 10.7270/Q2125X0P
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143115 (3-Phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3...) Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C21H15N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-13H,14H2	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to recombinant human GABA-A alpha1beta3gamma2 receptor expressed in L(tk) cells				Eur J Med Chem 171: 434-461 (2019) Article DOI: 10.1016/j.ejmech.2019.03.043 BindingDB Entry DOI: 10.7270/Q2125X0P
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50156083 (3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...) Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GABA-A alpha5beta3gamma2 receptor expressed in mouse L(tk-) cells by radioligand binding assay				Eur J Med Chem 171: 434-461 (2019) Article DOI: 10.1016/j.ejmech.2019.03.043 BindingDB Entry DOI: 10.7270/Q2125X0P
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM24184 ((3-aminopropyl)phosphinic acid | 3-aminopropylphos...) Show SMILES NCCCP(O)=O Show InChI InChI=1S/C3H10NO2P/c4-2-1-3-7(5)6/h7H,1-4H2,(H,5,6)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50162235 (6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccccn1 |(.38,-2.64,;-.97,-1.89,;-.97,-.33,;.37,.41,;.37,1.98,;1.5,2.99,;.89,4.4,;-.62,4.25,;-.97,2.73,;-2.28,1.95,;-3.63,2.65,;-2.98,1.21,;-4.57,1.21,;-3.61,-.36,;-4.96,.41,;-4.96,1.95,;-2.28,.41,;2.99,2.58,;3.39,1.12,;4.86,.72,;5.96,1.8,;5.54,3.29,;4.07,3.69,;.38,-4.18,;-.97,-4.95,;-.97,-6.49,;.37,-7.26,;1.71,-6.49,;1.69,-4.95,)| Show InChI InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)21-25-26-22-19-15-9-11-16(12-10-15)20(19)23(27-28(21)22)29-14-18-8-4-5-13-24-18/h1-8,13,15-16H,9-12,14H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to recombinant human GABA-A alpha3beta3gamma2 receptor expressed in L(tk) cells				Eur J Med Chem 171: 434-461 (2019) Article DOI: 10.1016/j.ejmech.2019.03.043 BindingDB Entry DOI: 10.7270/Q2125X0P
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM24185 ((3-aminopropyl)(methyl)phosphinic acid | 3-Apmpa |...) Show SMILES CP(O)(=O)CCCN Show InChI InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM24183 (4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...) Show SMILES NCCCC(O)=O Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (GUINEA PIG)	BDBM50129952 (2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity (in vitro) against Opioid receptor delta 1 using radio-ligand binding assay				Bioorg Med Chem Lett 13: 2281-4 (2003) BindingDB Entry DOI: 10.7270/Q2V987F7
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143106 (6-Benzyloxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthala...) Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H16N4O/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h1-14H,15H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to recombinant human GABA-A alpha5beta3gamma2 receptor expressed in L(tk) cells				Eur J Med Chem 171: 434-461 (2019) Article DOI: 10.1016/j.ejmech.2019.03.043 BindingDB Entry DOI: 10.7270/Q2125X0P
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143106 (6-Benzyloxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthala...) Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H16N4O/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h1-14H,15H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to recombinant human GABA-A alpha3beta3gamma2 receptor expressed in L(tk) cells				Eur J Med Chem 171: 434-461 (2019) Article DOI: 10.1016/j.ejmech.2019.03.043 BindingDB Entry DOI: 10.7270/Q2125X0P
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50162235 (6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccccn1 |(.38,-2.64,;-.97,-1.89,;-.97,-.33,;.37,.41,;.37,1.98,;1.5,2.99,;.89,4.4,;-.62,4.25,;-.97,2.73,;-2.28,1.95,;-3.63,2.65,;-2.98,1.21,;-4.57,1.21,;-3.61,-.36,;-4.96,.41,;-4.96,1.95,;-2.28,.41,;2.99,2.58,;3.39,1.12,;4.86,.72,;5.96,1.8,;5.54,3.29,;4.07,3.69,;.38,-4.18,;-.97,-4.95,;-.97,-6.49,;.37,-7.26,;1.71,-6.49,;1.69,-4.95,)| Show InChI InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)21-25-26-22-19-15-9-11-16(12-10-15)20(19)23(27-28(21)22)29-14-18-8-4-5-13-24-18/h1-8,13,15-16H,9-12,14H2	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to recombinant human GABA-A alpha1beta3gamma2 receptor expressed in L(tk) cells				Eur J Med Chem 171: 434-461 (2019) Article DOI: 10.1016/j.ejmech.2019.03.043 BindingDB Entry DOI: 10.7270/Q2125X0P
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143106 (6-Benzyloxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthala...) Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H16N4O/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h1-14H,15H2	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to recombinant human GABA-A alpha1beta3gamma2 receptor expressed in L(tk) cells				Eur J Med Chem 171: 434-461 (2019) Article DOI: 10.1016/j.ejmech.2019.03.043 BindingDB Entry DOI: 10.7270/Q2125X0P
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM50032962 (((Z)-3-Amino-propenyl)-phosphinic acid | CGP38593 ...) Show SMILES NCCCP(=O)=O Show InChI InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50094575 (4-[(1R,2R,6R,7R,8R)-8-hydroxytricyclo[5.2.1.0^{2,6...) Show SMILES [#8]-[#6@@H]-1-[#6]-[#6@H]-2-[#6]-[#6@@H]-1-[#6@@H]-1-[#6]\[#6](-[#6]-[#6@H]-2-1)=[#6]-1/[#6]-[#6]-[#6](=O)-[#6]-[#6]-1 Show InChI InChI=1S/C16H22O2/c17-12-3-1-9(2-4-12)10-5-13-11-7-15(14(13)6-10)16(18)8-11/h11,13-16,18H,1-8H2/t11-,13-,14-,15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description In vivo binding affinity fot cytosolic androgen receptor				J Med Chem 43: 4629-35 (2001) BindingDB Entry DOI: 10.7270/Q2ZK5HC6
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM50032973 (((Z)-3-Amino-propenyl)-methyl-phosphinic acid | 3-...) Show SMILES CP(O)(=O)CCC=N Show InChI InChI=1S/C4H10NO2P/c1-8(6,7)4-2-3-5/h3,5H,2,4H2,1H3,(H,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM24185 ((3-aminopropyl)(methyl)phosphinic acid | 3-Apmpa |...) Show SMILES CP(O)(=O)CCCN Show InChI InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50129952 (2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity (in vitro) against Dopamine receptor D3 using radio-ligand binding assay				Bioorg Med Chem Lett 13: 2281-4 (2003) BindingDB Entry DOI: 10.7270/Q2V987F7
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50368314 (ZANOTERONE) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nn(cc5C[C@]34C)S(C)(=O)=O)[C@@H]1CC[C@@]2(O)C#C Show InChI InChI=1S/C23H32N2O3S/c1-5-23(26)11-9-19-17-7-6-16-12-20-15(14-25(24-20)29(4,27)28)13-21(16,2)18(17)8-10-22(19,23)3/h1,14,16-19,26H,6-13H2,2-4H3/t16-,17+,18-,19-,21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description In vivo binding affinity fot cytosolic androgen receptor				J Med Chem 43: 4629-35 (2001) BindingDB Entry DOI: 10.7270/Q2ZK5HC6
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM24184 ((3-aminopropyl)phosphinic acid | 3-aminopropylphos...) Show SMILES NCCCP(O)=O Show InChI InChI=1S/C3H10NO2P/c4-2-1-3-7(5)6/h7H,1-4H2,(H,5,6)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50129952 (2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity towards pig 5-hydroxytryptamine 2C receptor				Bioorg Med Chem Lett 13: 2281-4 (2003) BindingDB Entry DOI: 10.7270/Q2V987F7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Sus scrofa)	BDBM50129952 (2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity (in vitro) against 5-hydroxytryptamine 1D receptor alpha using radio-ligand binding assay				Bioorg Med Chem Lett 13: 2281-4 (2003) BindingDB Entry DOI: 10.7270/Q2V987F7
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM50032962 (((Z)-3-Amino-propenyl)-phosphinic acid | CGP38593 ...) Show SMILES NCCCP(=O)=O Show InChI InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50032973 (((Z)-3-Amino-propenyl)-methyl-phosphinic acid | 3-...) Show SMILES CP(O)(=O)CCC=N Show InChI InChI=1S/C4H10NO2P/c1-8(6,7)4-2-3-5/h3,5H,2,4H2,1H3,(H,6,7)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50032962 (((Z)-3-Amino-propenyl)-phosphinic acid | CGP38593 ...) Show SMILES NCCCP(=O)=O Show InChI InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50032962 (((Z)-3-Amino-propenyl)-phosphinic acid | CGP38593 ...) Show SMILES NCCCP(=O)=O Show InChI InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM86255 (CAS_130546 | NSC_130546 | THIP, Iso-) Show SMILES O=c1o[nH]c2CNCCc12 Show InChI InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)8-10-6/h7-8H,1-3H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Curr Drug Targets CNS Neurol Disord 2: 260-8 (2003) Article DOI: 10.2174/1568007033482805 BindingDB Entry DOI: 10.7270/Q2SX6BSS
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50032973 (((Z)-3-Amino-propenyl)-methyl-phosphinic acid | 3-...) Show SMILES CP(O)(=O)CCC=N Show InChI InChI=1S/C4H10NO2P/c1-8(6,7)4-2-3-5/h3,5H,2,4H2,1H3,(H,6,7)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM86256 (THIP, Aza-) Show SMILES O=c1[nH][nH]c2CNCCc12 Show InChI InChI=1S/C6H7N3O/c10-6-4-1-2-7-3-5(4)8-9-6/h7H,1-3H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Curr Drug Targets CNS Neurol Disord 2: 260-8 (2003) Article DOI: 10.2174/1568007033482805 BindingDB Entry DOI: 10.7270/Q2SX6BSS
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50032962 (((Z)-3-Amino-propenyl)-phosphinic acid | CGP38593 ...) Show SMILES NCCCP(=O)=O Show InChI InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50032973 (((Z)-3-Amino-propenyl)-methyl-phosphinic acid | 3-...) Show SMILES CP(O)(=O)CCC=N Show InChI InChI=1S/C4H10NO2P/c1-8(6,7)4-2-3-5/h3,5H,2,4H2,1H3,(H,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50032973 (((Z)-3-Amino-propenyl)-methyl-phosphinic acid | 3-...) Show SMILES CP(O)(=O)CCC=N Show InChI InChI=1S/C4H10NO2P/c1-8(6,7)4-2-3-5/h3,5H,2,4H2,1H3,(H,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM50032982 ((3-Amino-propyl)-butyl-phosphinic acid | 3-aminopr...) Show SMILES CCCCP(O)(=O)CCCN Show InChI InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50032982 ((3-Amino-propyl)-butyl-phosphinic acid | 3-aminopr...) Show SMILES CCCCP(O)(=O)CCCN Show InChI InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM50032973 (((Z)-3-Amino-propenyl)-methyl-phosphinic acid | 3-...) Show SMILES CP(O)(=O)CCC=N Show InChI InChI=1S/C4H10NO2P/c1-8(6,7)4-2-3-5/h3,5H,2,4H2,1H3,(H,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by PDSP Ki Database									Eur J Pharmacol 329: 223-9 (1997) BindingDB Entry DOI: 10.7270/Q2H41PZV
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50094570 ((3aS) -4-(5-Hydroxy-5-methyl-octahydro-4,7-methano...) Show SMILES [#6][C@]1([#8])[#6]-[#6@@H]-2-[#6]-[#6@H]1-[#6@H]-1-[#6]\[#6](-[#6]-[#6@@H]-2-1)=[#6]-1\[#6]-[#6]-[#6](=O)-[#6]-[#6]-1 Show InChI InChI=1S/C17H24O2/c1-17(19)9-12-8-16(17)15-7-11(6-14(12)15)10-2-4-13(18)5-3-10/h12,14-16,19H,2-9H2,1H3/t12-,14-,15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.				J Med Chem 43: 4629-35 (2001) BindingDB Entry DOI: 10.7270/Q2ZK5HC6
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1 (Homo sapiens (Human))	BDBM50211642 (CHEMBL397209 | Methyl(1,2,3,6-tetrahydropyridinium...) Show SMILES CP(O)(=O)C1=CCNCC1 |t:4| Show InChI InChI=1S/C6H12NO2P/c1-10(8,9)6-2-4-7-5-3-6/h2,7H,3-5H2,1H3,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human recombinant GABAc rho-1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current by t...				ACS Med Chem Lett 2: 11-16 (2011) Article DOI: 10.1021/ml1001344 BindingDB Entry DOI: 10.7270/Q2FX79QR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit rho-1 (Homo sapiens (Human))	BDBM50211642 (CHEMBL397209 | Methyl(1,2,3,6-tetrahydropyridinium...) Show SMILES CP(O)(=O)C1=CCNCC1 |t:4| Show InChI InChI=1S/C6H12NO2P/c1-10(8,9)6-2-4-7-5-3-6/h2,7H,3-5H2,1H3,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at GABAC rho1 receptor (unknown origin)				ACS Med Chem Lett 4: 402-7 (2013) Article DOI: 10.1021/ml300476v BindingDB Entry DOI: 10.7270/Q27H1KXG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM50094568 (4-[(1S,2S,6S,7S,8S)-8-hydroxytricyclo[5.2.1.0^{2,6...) Show SMILES [#8]-[#6@H]-1-[#6]-[#6@@H]-2-[#6]-[#6@H]-1-[#6@H]-1-[#6]\[#6](-[#6]-[#6@@H]-2-1)=[#6]-1\[#6]-[#6]-[#6](=O)-[#6]-[#6]-1 Show InChI InChI=1S/C16H22O2/c17-12-3-1-9(2-4-12)10-5-13-11-7-15(14(13)6-10)16(18)8-11/h11,13-16,18H,1-8H2/t11-,13-,14-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.				J Med Chem 43: 4629-35 (2001) BindingDB Entry DOI: 10.7270/Q2ZK5HC6
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.				J Med Chem 43: 4629-35 (2001) BindingDB Entry DOI: 10.7270/Q2ZK5HC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM50094576 (4-[(1R,2R,6R,7R,8S)-8-hydroxytricyclo[5.2.1.0^{2,6...) Show SMILES [#8]-[#6@H]-1-[#6]-[#6@H]-2-[#6]-[#6@@H]-1-[#6@@H]-1-[#6]\[#6](-[#6]-[#6@H]-2-1)=[#6]-1/[#6]-[#6]-[#6](=O)-[#6]-[#6]-1 Show InChI InChI=1S/C16H22O2/c17-12-3-1-9(2-4-12)10-5-13-11-7-15(14(13)6-10)16(18)8-11/h11,13-16,18H,1-8H2/t11-,13-,14-,15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.				J Med Chem 43: 4629-35 (2001) BindingDB Entry DOI: 10.7270/Q2ZK5HC6
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1 (Homo sapiens (Human))	BDBM24189 (3-aminopropylphosphinic derivative, (R)-4 | 3-amin...) Show SMILES CP(O)(O)CC(=O)CN Show InChI InChI=1S/C4H12NO3P/c1-9(7,8)3-4(6)2-5/h7-9H,2-3,5H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human recombinant GABAc rho1 receptor expressed in Xenopus laevis oocytes at -60mV by two-electrode voltage clamp method				Bioorg Med Chem Lett 18: 402-4 (2008) Article DOI: 10.1016/j.bmcl.2007.10.019 BindingDB Entry DOI: 10.7270/Q2TT4RTQ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1 (Homo sapiens (Human))	BDBM50032973 (((Z)-3-Amino-propenyl)-methyl-phosphinic acid | 3-...) Show SMILES CP(O)(=O)CCC=N Show InChI InChI=1S/C4H10NO2P/c1-8(6,7)4-2-3-5/h3,5H,2,4H2,1H3,(H,6,7)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human GABAc Rho1 receptor expressed in Xenopus oocytes assessed as whole cell current production by two electrode voltage clam...				J Med Chem 51: 3825-40 (2008) Article DOI: 10.1021/jm7015842 BindingDB Entry DOI: 10.7270/Q27M07RR
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1 (Homo sapiens (Human))	BDBM50492303 (CHEMBL2398121) Show SMILES NC1CC=C(C1)C(O)=O |c:3| Show InChI InChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1,5H,2-3,7H2,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human recombinant GABAA rho1 receptor expressed in Xenopus laevis assessed as inhibition of GABA-induced chloride current prod...				J Med Chem 56: 5626-30 (2013) Article DOI: 10.1021/jm4006548 BindingDB Entry DOI: 10.7270/Q20K2CHH
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1 (Homo sapiens (Human))	BDBM50492306 (CHEMBL2398115) Show SMILES NC1CC=C(C1)C(N)=O |c:3| Show InChI InChI=1S/C6H10N2O/c7-5-2-1-4(3-5)6(8)9/h1,5H,2-3,7H2,(H2,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human recombinant GABAA rho1 receptor expressed in Xenopus laevis assessed as inhibition of GABA-induced chloride current prod...				J Med Chem 56: 5626-30 (2013) Article DOI: 10.1021/jm4006548 BindingDB Entry DOI: 10.7270/Q20K2CHH
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50094579 ((3aS)-4-(5-Hydroxy-5-vinyl-octahydro-4,7-methano-i...) Show SMILES [#8][C@]1([#6]-[#6@@H]-2-[#6]-[#6@H]1-[#6@H]-1-[#6]\[#6](-[#6]-[#6@@H]-2-1)=[#6]-1\[#6]-[#6]-[#6](=O)-[#6]-[#6]-1)[#6]=[#6] Show InChI InChI=1S/C18H24O2/c1-2-18(20)10-13-9-17(18)16-8-12(7-15(13)16)11-3-5-14(19)6-4-11/h2,13,15-17,20H,1,3-10H2/t13-,15-,16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.				J Med Chem 43: 4629-35 (2001) BindingDB Entry DOI: 10.7270/Q2ZK5HC6
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1 (Homo sapiens (Human))	BDBM50428278 (CHEMBL446306) Show SMILES CCCCP(O)(=O)C1=C[C@@H](N)CC1 |r,t:7| Show InChI InChI=1S/C9H18NO2P/c1-2-3-6-13(11,12)9-5-4-8(10)7-9/h7-8H,2-6,10H2,1H3,(H,11,12)/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human GABAC rho1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current by two electrode ...				ACS Med Chem Lett 4: 402-7 (2013) Article DOI: 10.1021/ml300476v BindingDB Entry DOI: 10.7270/Q27H1KXG
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50094578 (4-[(1S,2S,6S,7S,8R)-8-hydroxytricyclo[5.2.1.0^{2,6...) Show SMILES [#8]-[#6@@H]-1-[#6]-[#6@@H]-2-[#6]-[#6@H]-1-[#6@H]-1-[#6]\[#6](-[#6]-[#6@@H]-2-1)=[#6]-1\[#6]-[#6]-[#6](=O)-[#6]-[#6]-1 Show InChI InChI=1S/C16H22O2/c17-12-3-1-9(2-4-12)10-5-13-11-7-15(14(13)6-10)16(18)8-11/h11,13-16,18H,1-8H2/t11-,13-,14-,15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.				J Med Chem 43: 4629-35 (2001) BindingDB Entry DOI: 10.7270/Q2ZK5HC6
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 137 total )  |  Next  |  Last  >>

Jump to: