Compile Data Set for Download or QSAR

Found 159 hits with Last Name = 'chebib' and Initial = 'm'   

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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50285553 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CCNC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C15H16N6OS/c1-2-17-12(22)9-23-15-19-13(16)11-8-18-21(14(11)20-15)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,17,22)(H2,16,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor by inhibition of [3H]-PIA binding to whole rat brain membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					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)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50285555 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES NC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C13H12N6OS/c14-10(20)7-21-13-17-11(15)9-6-16-19(12(9)18-13)8-4-2-1-3-5-8/h1-6H,7H2,(H2,14,20)(H2,15,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor by inhibition of [3H]-PIA binding to whole rat brain membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					More data for this Ligand-Target Pair
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
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50285555 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES NC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C13H12N6OS/c14-10(20)7-21-13-17-11(15)9-6-16-19(12(9)18-13)8-4-2-1-3-5-8/h1-6H,7H2,(H2,14,20)(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Adenosine A2a receptor by inhibition of [3H]-CGS-21,680 binding to rat brain striatum membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					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
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50285554 (3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES NC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C14H14N6OS/c15-11(21)6-7-22-14-18-12(16)10-8-17-20(13(10)19-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,21)(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Adenosine A2a receptor by inhibition of [3H]-CGS-21,680 binding to rat brain striatum membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50285553 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CCNC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C15H16N6OS/c1-2-17-12(22)9-23-15-19-13(16)11-8-18-21(14(11)20-15)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,17,22)(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Adenosine A2a receptor by inhibition of [3H]-CGS-21,680 binding to rat brain striatum membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50025708 (2-[6-(1-Carbamoyl-ethylsulfanyl)-1-phenyl-1H-pyraz...) Show SMILES CC(Sc1nc(SC(C)C(N)=O)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C17H18N6O2S2/c1-9(13(18)24)26-16-12-8-20-23(11-6-4-3-5-7-11)15(12)21-17(22-16)27-10(2)14(19)25/h3-10H,1-2H3,(H2,18,24)(H2,19,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Adenosine A2a receptor by inhibition of [3H]-CGS-21,680 binding to rat brain striatum membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50025708 (2-[6-(1-Carbamoyl-ethylsulfanyl)-1-phenyl-1H-pyraz...) Show SMILES CC(Sc1nc(SC(C)C(N)=O)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C17H18N6O2S2/c1-9(13(18)24)26-16-12-8-20-23(11-6-4-3-5-7-11)15(12)21-17(22-16)27-10(2)14(19)25/h3-10H,1-2H3,(H2,18,24)(H2,19,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor by inhibition of [3H]-PIA binding to whole rat brain membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50285554 (3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES NC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C14H14N6OS/c15-11(21)6-7-22-14-18-12(16)10-8-17-20(13(10)19-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,21)(H2,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	428	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor by inhibition of [3H]-PIA binding to whole rat brain membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50285552 (3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CCNC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C16H18N6OS/c1-2-18-13(23)8-9-24-16-20-14(17)12-10-19-22(15(12)21-16)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,23)(H2,17,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	551	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor by inhibition of [3H]-PIA binding to whole rat brain membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					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
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50285552 (3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CCNC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C16H18N6OS/c1-2-18-13(23)8-9-24-16-20-14(17)12-10-19-22(15(12)21-16)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,23)(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Adenosine A2a receptor by inhibition of [3H]-CGS-21,680 binding to rat brain striatum membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					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
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50380097 (CHEMBL2012935) Show SMILES O=C(CN1CCOCC1)Nc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C17H19N3O2/c21-17(13-20-8-10-22-11-9-20)19-16-5-3-14(4-6-16)15-2-1-7-18-12-15/h1-7,12H,8-11,13H2,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.90E+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 Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting				Bioorg Med Chem Lett 22: 2380-4 (2012) Article DOI: 10.1016/j.bmcl.2012.02.052 BindingDB Entry DOI: 10.7270/Q23779QR
					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
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50380097 (CHEMBL2012935) Show SMILES O=C(CN1CCOCC1)Nc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C17H19N3O2/c21-17(13-20-8-10-22-11-9-20)19-16-5-3-14(4-6-16)15-2-1-7-18-12-15/h1-7,12H,8-11,13H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting				Bioorg Med Chem Lett 22: 2380-4 (2012) Article DOI: 10.1016/j.bmcl.2012.02.052 BindingDB Entry DOI: 10.7270/Q23779QR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50380100 (CHEMBL2012937) Show SMILES O=C(CCCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C21H27N3O2/c25-21(6-2-1-3-12-24-13-15-26-16-14-24)23-20-9-7-18(8-10-20)19-5-4-11-22-17-19/h4-5,7-11,17H,1-3,6,12-16H2,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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]epibatidine from rat alpha7 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting				Bioorg Med Chem Lett 22: 2380-4 (2012) Article DOI: 10.1016/j.bmcl.2012.02.052 BindingDB Entry DOI: 10.7270/Q23779QR
					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))	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))	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-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
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50380098 (CHEMBL2010825) Show SMILES O=C(CCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C18H21N3O2/c22-18(7-9-21-10-12-23-13-11-21)20-17-5-3-15(4-6-17)16-2-1-8-19-14-16/h1-6,8,14H,7,9-13H2,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting				Bioorg Med Chem Lett 22: 2380-4 (2012) Article DOI: 10.1016/j.bmcl.2012.02.052 BindingDB Entry DOI: 10.7270/Q23779QR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50300802 (5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...) Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting				Bioorg Med Chem Lett 22: 2380-4 (2012) Article DOI: 10.1016/j.bmcl.2012.02.052 BindingDB Entry DOI: 10.7270/Q23779QR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50380097 (CHEMBL2012935) Show SMILES O=C(CN1CCOCC1)Nc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C17H19N3O2/c21-17(13-20-8-10-22-11-9-20)19-16-5-3-14(4-6-16)15-2-1-7-18-12-15/h1-7,12H,8-11,13H2,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting				Bioorg Med Chem Lett 22: 2380-4 (2012) Article DOI: 10.1016/j.bmcl.2012.02.052 BindingDB Entry DOI: 10.7270/Q23779QR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50300802 (5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...) Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting				Bioorg Med Chem Lett 22: 2380-4 (2012) Article DOI: 10.1016/j.bmcl.2012.02.052 BindingDB Entry DOI: 10.7270/Q23779QR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50380100 (CHEMBL2012937) Show SMILES O=C(CCCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C21H27N3O2/c25-21(6-2-1-3-12-24-13-15-26-16-14-24)23-20-9-7-18(8-10-20)19-5-4-11-22-17-19/h4-5,7-11,17H,1-3,6,12-16H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting				Bioorg Med Chem Lett 22: 2380-4 (2012) Article DOI: 10.1016/j.bmcl.2012.02.052 BindingDB Entry DOI: 10.7270/Q23779QR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50380098 (CHEMBL2010825) Show SMILES O=C(CCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C18H21N3O2/c22-18(7-9-21-10-12-23-13-11-21)20-17-5-3-15(4-6-17)16-2-1-8-19-14-16/h1-6,8,14H,7,9-13H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting				Bioorg Med Chem Lett 22: 2380-4 (2012) Article DOI: 10.1016/j.bmcl.2012.02.052 BindingDB Entry DOI: 10.7270/Q23779QR
					More data for this Ligand-Target Pair

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