Compile Data Set for Download or QSAR

Found 23052 hits with Last Name = 'tang' and Initial = 'p'   

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
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513620 (CHEMBL4563574) Show SMILES OCc1ccc(s1)-c1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(19.15,-17.53,;17.9,-16.63,;16.5,-17.26,;15.16,-16.5,;14.02,-17.53,;14.65,-18.93,;16.18,-18.77,;13.89,-20.27,;14.67,-21.61,;13.9,-22.95,;12.36,-22.95,;11.59,-21.61,;12.35,-20.28,;10.05,-21.61,;8.99,-22.79,;7.53,-22.14,;7.7,-20.56,;9.26,-20.23,;6.14,-22.94,;6.14,-24.53,;4.77,-25.32,;3.4,-24.53,;3.4,-22.94,;4.77,-22.14,;5.16,-23.51,;4.29,-23.98,)| Show InChI InChI=1S/C20H22N4OS/c25-13-17-4-5-20(26-17)16-3-1-2-15(10-16)18-11-24(22-21-18)19-12-23-8-6-14(19)7-9-23/h1-5,10-11,14,19,25H,6-9,12-13H2/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513583 (CHEMBL4533685) Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:23.26,(16.45,-18.43,;17.86,-19.05,;18.02,-20.58,;19.42,-21.2,;20.67,-20.3,;20.51,-18.77,;19.1,-18.14,;15.21,-19.34,;15.37,-20.87,;14.12,-21.78,;12.72,-21.14,;12.55,-19.62,;13.79,-18.71,;11.47,-22.05,;11.47,-23.58,;10.02,-24.05,;9.11,-22.82,;10.02,-21.57,;7.57,-22.82,;6.51,-24,;5.06,-23.35,;5.23,-21.77,;6.78,-21.45,;3.68,-24.14,;3.68,-25.73,;2.31,-26.51,;.94,-25.73,;.94,-24.14,;2.31,-23.34,;2.7,-24.71,;1.83,-25.18,)| Show InChI InChI=1S/C25H31N5S/c1-2-12-28(13-3-1)16-19-4-6-21(7-5-19)24-8-9-25(31-24)22-17-30(27-26-22)23-18-29-14-10-20(23)11-15-29/h4-9,17,20,23H,1-3,10-16,18H2/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50160917 (3-(3-(2-(benzyloxy)-5-chlorophenyl)thiophen-2-yl)b...) Show SMILES OC(=O)c1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C24H17ClO3S/c25-19-9-10-22(28-15-16-5-2-1-3-6-16)21(14-19)20-11-12-29-23(20)17-7-4-8-18(13-17)24(26)27/h1-14H,15H2,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against PGE2 activated EP1 receptor assessed as ability to inhibit intracellular calcium mobilisation by FLIPR				Bioorg Med Chem Lett 16: 2666-71 (2006) Article DOI: 10.1016/j.bmcl.2006.02.014 BindingDB Entry DOI: 10.7270/Q2J102RM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513605 (CHEMBL4563839) Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(s2)-c2cn(nn2)[C@H]2CN3CCC2CC3)CC1 |r,wU:22.24,(65.26,-20.37,;63.86,-19.74,;62.61,-20.64,;61.21,-20.01,;61.05,-18.49,;59.64,-17.86,;58.4,-18.77,;58.56,-20.3,;57.32,-21.21,;55.91,-20.57,;55.75,-19.05,;56.98,-18.15,;54.67,-21.48,;54.67,-23.01,;53.21,-23.49,;52.3,-22.25,;53.21,-21.01,;50.77,-22.25,;49.7,-23.43,;48.25,-22.78,;48.42,-21.2,;49.98,-20.88,;46.87,-23.58,;46.87,-25.16,;45.5,-25.95,;44.13,-25.16,;44.13,-23.58,;45.5,-22.77,;45.89,-24.14,;45.02,-24.61,;62.29,-17.57,;63.7,-18.2,)| Show InChI InChI=1S/C25H32N6S/c1-28-12-14-30(15-13-28)16-19-2-4-21(5-3-19)24-6-7-25(32-24)22-17-31(27-26-22)23-18-29-10-8-20(23)9-11-29/h2-7,17,20,23H,8-16,18H2,1H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513594 (CHEMBL4556722) Show SMILES NCc1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(65.48,-48.42,;64.08,-47.8,;62.84,-48.7,;63,-50.24,;61.76,-51.14,;60.36,-50.5,;60.19,-48.98,;61.43,-48.08,;59.11,-51.41,;59.11,-52.95,;57.65,-53.42,;56.74,-52.18,;57.65,-50.94,;55.2,-52.18,;54.14,-53.37,;52.69,-52.72,;52.86,-51.14,;54.42,-50.82,;51.31,-53.51,;51.31,-55.1,;49.94,-55.89,;48.57,-55.1,;48.57,-53.51,;49.94,-52.71,;50.33,-54.08,;49.46,-54.55,)| Show InChI InChI=1S/C20H23N5S/c21-11-14-1-3-16(4-2-14)19-5-6-20(26-19)17-12-25(23-22-17)18-13-24-9-7-15(18)8-10-24/h1-6,12,15,18H,7-11,13,21H2/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513617 (CHEMBL4459802) Show SMILES OC1CCN(Cc2ccc(cc2)-c2ccc(s2)-c2cn(nn2)[C@H]2CN3CCC2CC3)CC1 |r,wU:22.24,(89,-20.4,;87.6,-19.77,;86.35,-20.67,;84.95,-20.05,;84.79,-18.52,;83.38,-17.9,;82.14,-18.81,;82.3,-20.34,;81.06,-21.24,;79.65,-20.61,;79.49,-19.09,;80.72,-18.18,;78.41,-21.52,;78.41,-23.05,;76.95,-23.52,;76.04,-22.29,;76.95,-21.04,;74.51,-22.29,;73.44,-23.47,;71.99,-22.82,;72.16,-21.24,;73.72,-20.91,;70.61,-23.61,;70.61,-25.2,;69.24,-25.98,;67.88,-25.2,;67.88,-23.61,;69.24,-22.81,;69.63,-24.18,;68.76,-24.64,;86.03,-17.61,;87.44,-18.24,)| Show InChI InChI=1S/C25H31N5OS/c31-21-9-13-28(14-10-21)15-18-1-3-20(4-2-18)24-5-6-25(32-24)22-16-30(27-26-22)23-17-29-11-7-19(23)8-12-29/h1-6,16,19,21,23,31H,7-15,17H2/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513613 (CHEMBL4567300) Show SMILES OCc1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(44.07,-47.71,;42.67,-47.09,;41.43,-48,;41.59,-49.53,;40.35,-50.44,;38.94,-49.8,;38.78,-48.28,;40.01,-47.37,;37.7,-50.71,;37.7,-52.24,;36.24,-52.72,;35.32,-51.48,;36.24,-50.24,;33.79,-51.48,;32.73,-52.66,;31.27,-52.01,;31.45,-50.43,;33,-50.11,;29.89,-52.8,;29.89,-54.39,;28.52,-55.18,;27.15,-54.39,;27.15,-52.8,;28.52,-52.01,;28.91,-53.38,;28.04,-53.84,)| Show InChI InChI=1S/C20H22N4OS/c25-13-14-1-3-16(4-2-14)19-5-6-20(26-19)17-11-24(22-21-17)18-12-23-9-7-15(18)8-10-23/h1-6,11,15,18,25H,7-10,12-13H2/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513577 (CHEMBL4445961) Show SMILES OCc1cccc(c1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(20.33,-48.44,;19.09,-49.34,;17.69,-48.72,;17.53,-47.19,;16.11,-46.56,;14.88,-47.47,;15.05,-48.99,;16.45,-49.63,;13.8,-49.9,;13.8,-51.44,;12.34,-51.91,;11.42,-50.67,;12.34,-49.43,;9.89,-50.67,;8.83,-51.85,;7.38,-51.2,;7.55,-49.62,;9.1,-49.3,;5.99,-51.99,;5.99,-53.58,;4.62,-54.37,;3.25,-53.58,;3.25,-51.99,;4.62,-51.2,;5.01,-52.57,;4.14,-53.03,)| Show InChI InChI=1S/C20H22N4OS/c25-13-14-2-1-3-16(10-14)19-4-5-20(26-19)17-11-24(22-21-17)18-12-23-8-6-15(18)7-9-23/h1-5,10-11,15,18,25H,6-9,12-13H2/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513611 (CHEMBL4452867) Show SMILES OCc1ccc(s1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:17.19,(64.09,-16.74,;62.59,-17.06,;62.11,-18.52,;63.02,-19.77,;62.12,-21.01,;60.65,-20.54,;60.65,-19,;59.41,-21.45,;59.41,-22.99,;57.95,-23.46,;57.03,-22.22,;57.95,-20.97,;55.49,-22.22,;54.43,-23.41,;52.97,-22.75,;53.14,-21.17,;54.7,-20.85,;51.59,-23.55,;51.59,-25.14,;50.21,-25.93,;48.84,-25.14,;48.84,-23.55,;50.21,-22.75,;50.6,-24.12,;49.73,-24.59,)| Show InChI InChI=1S/C18H20N4OS2/c23-11-13-1-2-17(24-13)18-4-3-16(25-18)14-9-22(20-19-14)15-10-21-7-5-12(15)6-8-21/h1-4,9,12,15,23H,5-8,10-11H2/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513606 (CHEMBL4547917) Show SMILES C(N1CCOCC1)c1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:23.26,(37.66,-18.31,;39.07,-18.94,;39.22,-20.46,;40.62,-21.09,;41.87,-20.19,;41.71,-18.65,;40.3,-18.02,;36.42,-19.22,;36.58,-20.75,;35.33,-21.66,;33.93,-21.02,;33.76,-19.5,;35,-18.6,;32.68,-21.93,;32.68,-23.46,;31.22,-23.94,;30.32,-22.7,;31.22,-21.46,;28.78,-22.7,;27.72,-23.88,;26.27,-23.23,;26.44,-21.65,;27.99,-21.33,;24.89,-24.02,;24.89,-25.61,;23.52,-26.4,;22.15,-25.61,;22.15,-24.02,;23.52,-23.22,;23.91,-24.59,;23.04,-25.06,)| Show InChI InChI=1S/C24H29N5OS/c1-3-20(4-2-18(1)15-28-11-13-30-14-12-28)23-5-6-24(31-23)21-16-29(26-25-21)22-17-27-9-7-19(22)8-10-27/h1-6,16,19,22H,7-15,17H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50595851 (CHEMBL5192735) Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00237 BindingDB Entry DOI: 10.7270/Q21Z48F7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50595850 (CHEMBL5188021) Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00237 BindingDB Entry DOI: 10.7270/Q21Z48F7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50593636 (CHEMBL5192732) Show SMILES CCNC(=O)C1=CC2C(N1)C(=O)N(C)C=C2c1cc(ccc1Oc1c(C)cc(F)cc1C)S(=O)(=O)CC |c:15,t:5| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01835 BindingDB Entry DOI: 10.7270/Q2V98D2C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50595847 (CHEMBL5199097) Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1cccc(F)c1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00237 BindingDB Entry DOI: 10.7270/Q21Z48F7
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513579 (CHEMBL4534225) Show SMILES FCC1CCN(Cc2ccc(cc2)-c2ccc(s2)-c2cn(nn2)[C@H]2CN3CCC2CC3)CC1 |r,wU:23.25,(45.11,-36.08,;43.86,-36.99,;42.46,-36.36,;41.21,-37.26,;39.81,-36.63,;39.65,-35.11,;38.25,-34.48,;37,-35.39,;37.16,-36.92,;35.92,-37.83,;34.51,-37.19,;34.35,-35.67,;35.58,-34.77,;33.27,-38.1,;33.27,-39.63,;31.81,-40.11,;30.9,-38.87,;31.81,-37.63,;29.37,-38.87,;28.3,-40.05,;26.85,-39.4,;27.02,-37.82,;28.58,-37.5,;25.47,-40.19,;25.47,-41.78,;24.1,-42.57,;22.73,-41.78,;22.73,-40.19,;24.1,-39.39,;24.49,-40.76,;23.62,-41.23,;40.89,-34.19,;42.3,-34.82,)| Show InChI InChI=1S/C26H32FN5S/c27-15-19-7-11-30(12-8-19)16-20-1-3-22(4-2-20)25-5-6-26(33-25)23-17-32(29-28-23)24-18-31-13-9-21(24)10-14-31/h1-6,17,19,21,24H,7-16,18H2/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513616 (CHEMBL4532801) Show SMILES OCc1cccc(c1)-c1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:19.21,(19.93,-4.13,;19.15,-2.8,;17.62,-2.8,;16.84,-1.47,;15.29,-1.48,;14.54,-2.82,;15.31,-4.14,;16.85,-4.14,;14.55,-5.47,;15.33,-6.81,;14.56,-8.14,;13.02,-8.14,;12.25,-6.81,;13.01,-5.48,;10.71,-6.81,;9.65,-7.99,;8.19,-7.34,;8.36,-5.76,;9.92,-5.43,;6.8,-8.13,;6.8,-9.73,;5.43,-10.52,;4.06,-9.73,;4.06,-8.13,;5.43,-7.33,;5.82,-8.71,;4.95,-9.18,)| Show InChI InChI=1S/C22H24N4O/c27-15-16-3-1-4-18(11-16)19-5-2-6-20(12-19)21-13-26(24-23-21)22-14-25-9-7-17(22)8-10-25/h1-6,11-13,17,22,27H,7-10,14-15H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513585 (CHEMBL4467924) Show SMILES OCCc1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:19.21,(87.64,-43.84,;86.4,-44.75,;84.99,-44.12,;83.75,-45.03,;83.91,-46.56,;82.66,-47.47,;81.26,-46.83,;81.09,-45.31,;82.33,-44.4,;80.01,-47.74,;80.01,-49.27,;78.56,-49.75,;77.65,-48.51,;78.55,-47.26,;76.11,-48.51,;75.05,-49.69,;73.6,-49.04,;73.77,-47.46,;75.32,-47.14,;72.22,-49.83,;72.22,-51.42,;70.85,-52.21,;69.48,-51.42,;69.48,-49.83,;70.85,-49.03,;71.24,-50.4,;70.37,-50.87,)| Show InChI InChI=1S/C21H24N4OS/c26-12-9-15-1-3-17(4-2-15)20-5-6-21(27-20)18-13-25(23-22-18)19-14-24-10-7-16(19)8-11-24/h1-6,13,16,19,26H,7-12,14H2/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513592 (CHEMBL4517968) Show SMILES OCc1ccc(cc1)-c1csc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(65.38,-9.05,;63.97,-9.68,;62.73,-8.78,;61.32,-9.4,;60.08,-8.5,;60.24,-6.97,;61.64,-6.34,;62.88,-7.24,;59,-6.07,;59,-4.53,;57.54,-4.05,;56.62,-5.3,;57.54,-6.54,;55.08,-5.3,;54.02,-6.49,;52.56,-5.83,;52.73,-4.25,;54.29,-3.93,;51.17,-6.63,;51.17,-8.22,;49.8,-9.01,;48.43,-8.22,;48.43,-6.63,;49.8,-5.83,;50.19,-7.2,;49.32,-7.67,)| Show InChI InChI=1S/C20H22N4OS/c25-12-14-1-3-15(4-2-14)17-9-20(26-13-17)18-10-24(22-21-18)19-11-23-7-5-16(19)6-8-23/h1-4,9-10,13,16,19,25H,5-8,11-12H2/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM439497 (US10633379, Example 35 | US10633379, Example 82) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O Show InChI InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description pA2 for NK2 receptor of rabbit pulmonary artery				Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513584 (CHEMBL4583910) Show SMILES OCCOc1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:20.22,(20.85,-1.68,;19.45,-1.06,;18.2,-1.97,;16.79,-1.34,;15.55,-2.25,;15.71,-3.78,;14.47,-4.69,;13.06,-4.05,;12.89,-2.53,;14.13,-1.63,;11.82,-4.96,;11.82,-6.49,;10.36,-6.97,;9.45,-5.73,;10.36,-4.49,;7.92,-5.73,;6.85,-6.91,;5.4,-6.26,;5.57,-4.68,;7.13,-4.36,;4.02,-7.05,;4.02,-8.64,;2.65,-9.43,;1.28,-8.64,;1.28,-7.05,;2.65,-6.25,;3.04,-7.62,;2.17,-8.09,)| Show InChI InChI=1S/C21H24N4O2S/c26-11-12-27-17-3-1-16(2-4-17)20-5-6-21(28-20)18-13-25(23-22-18)19-14-24-9-7-15(19)8-10-24/h1-6,13,15,19,26H,7-12,14H2/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513588 (CHEMBL4582749) Show SMILES CN1CCN(Cc2ccc(cc2)-c2cccc(c2)-c2cn(nn2)[C@H]2CN3CCC2CC3)CC1 |r,wU:23.25,(66.95,-19.4,;65.44,-19.4,;64.69,-20.71,;63.18,-20.71,;62.42,-19.41,;60.91,-19.42,;60.16,-20.73,;60.94,-22.06,;60.17,-23.4,;58.63,-23.41,;57.84,-22.08,;58.61,-20.74,;57.85,-24.74,;58.63,-26.08,;57.86,-27.4,;56.32,-27.4,;55.55,-26.07,;56.31,-24.74,;54.02,-26.07,;52.99,-27.22,;51.57,-26.58,;51.74,-25.05,;53.25,-24.73,;50.23,-27.36,;50.23,-28.9,;48.91,-29.66,;47.57,-28.9,;47.57,-27.36,;48.91,-26.58,;49.28,-27.91,;48.44,-28.36,;63.16,-18.09,;64.68,-18.09,)| Show InChI InChI=1S/C27H34N6/c1-30-13-15-32(16-14-30)18-21-5-7-22(8-6-21)24-3-2-4-25(17-24)26-19-33(29-28-26)27-20-31-11-9-23(27)10-12-31/h2-8,17,19,23,27H,9-16,18,20H2,1H3/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50399881 (CHEMBL2180639) Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1 Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00237 BindingDB Entry DOI: 10.7270/Q21Z48F7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50595846 (CHEMBL5183917) Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00237 BindingDB Entry DOI: 10.7270/Q21Z48F7
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513604 (CHEMBL4441856) Show SMILES FC1CCN(Cc2ccc(cc2)-c2ccc(s2)-c2cn(nn2)[C@H]2CN3CCC2CC3)CC1 |r,wU:22.24,(22.52,-35.66,;21.11,-35.03,;19.87,-35.93,;18.47,-35.31,;18.31,-33.78,;16.9,-33.16,;15.66,-34.06,;15.82,-35.6,;14.57,-36.5,;13.17,-35.87,;13,-34.35,;14.24,-33.44,;11.92,-36.77,;11.92,-38.31,;10.47,-38.78,;9.56,-37.55,;10.47,-36.3,;8.02,-37.55,;6.96,-38.73,;5.51,-38.07,;5.68,-36.49,;7.23,-36.17,;4.13,-38.87,;4.13,-40.45,;2.76,-41.24,;1.39,-40.45,;1.39,-38.87,;2.76,-38.07,;3.15,-39.44,;2.28,-39.9,;19.54,-32.86,;20.95,-33.5,)| Show InChI InChI=1S/C25H30FN5S/c26-21-9-13-29(14-10-21)15-18-1-3-20(4-2-18)24-5-6-25(32-24)22-16-31(28-27-22)23-17-30-11-7-19(23)8-12-30/h1-6,16,19,21,23H,7-15,17H2/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513576 (CHEMBL4531375) Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:24.27,(17.11,-19.59,;18.62,-19.59,;19.38,-20.89,;20.88,-20.89,;21.64,-19.58,;20.88,-18.27,;19.36,-18.27,;16.36,-20.91,;17.14,-22.24,;16.37,-23.58,;14.83,-23.59,;14.04,-22.26,;14.81,-20.92,;14.05,-24.91,;14.83,-26.25,;14.06,-27.58,;12.52,-27.58,;11.75,-26.25,;12.51,-24.92,;10.21,-26.25,;9.18,-27.4,;7.77,-26.76,;7.93,-25.23,;9.45,-24.91,;6.43,-27.53,;6.43,-29.08,;5.1,-29.84,;3.77,-29.08,;3.77,-27.53,;5.1,-26.76,;5.48,-28.09,;4.64,-28.54,)| Show InChI InChI=1S/C27H33N5/c1-2-13-30(14-3-1)18-21-7-9-22(10-8-21)24-5-4-6-25(17-24)26-19-32(29-28-26)27-20-31-15-11-23(27)12-16-31/h4-10,17,19,23,27H,1-3,11-16,18,20H2/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50595852 (CHEMBL5194818) Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1cccc(F)c1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00237 BindingDB Entry DOI: 10.7270/Q21Z48F7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50595849 (CHEMBL5169404) Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00237 BindingDB Entry DOI: 10.7270/Q21Z48F7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50595853 (CHEMBL5177451) Show SMILES CCCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00237 BindingDB Entry DOI: 10.7270/Q21Z48F7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50595848 (CHEMBL5179970) Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1F)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00237 BindingDB Entry DOI: 10.7270/Q21Z48F7
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513581 (CHEMBL4471476) Show SMILES FCc1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(19.27,-35.32,;17.87,-34.7,;16.63,-35.6,;16.79,-37.14,;15.55,-38.05,;14.15,-37.41,;13.98,-35.89,;15.21,-34.98,;12.9,-38.32,;12.9,-39.85,;11.44,-40.33,;10.53,-39.09,;11.44,-37.85,;8.99,-39.09,;7.93,-40.27,;6.48,-39.62,;6.65,-38.04,;8.2,-37.72,;5.09,-40.41,;5.09,-42,;3.72,-42.79,;2.35,-42,;2.35,-40.41,;3.72,-39.61,;4.11,-40.99,;3.25,-41.45,)| Show InChI InChI=1S/C20H21FN4S/c21-11-14-1-3-16(4-2-14)19-5-6-20(26-19)17-12-25(23-22-17)18-13-24-9-7-15(18)8-10-24/h1-6,12,15,18H,7-11,13H2/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513601 (CHEMBL4515103) Show SMILES OCc1ccc(cc1)-c1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:19.21,(41.9,-1.52,;40.36,-1.53,;39.6,-2.86,;40.37,-4.19,;39.61,-5.53,;38.07,-5.53,;37.29,-4.21,;38.05,-2.87,;37.31,-6.86,;38.08,-8.2,;37.31,-9.53,;35.77,-9.53,;35.01,-8.2,;35.77,-6.87,;33.47,-8.2,;32.4,-9.38,;30.95,-8.73,;31.12,-7.15,;32.68,-6.82,;29.56,-9.52,;29.56,-11.12,;28.19,-11.91,;26.81,-11.12,;26.81,-9.52,;28.19,-8.72,;28.57,-10.1,;27.7,-10.57,)| Show InChI InChI=1S/C22H24N4O/c27-15-16-4-6-17(7-5-16)19-2-1-3-20(12-19)21-13-26(24-23-21)22-14-25-10-8-18(22)9-11-25/h1-7,12-13,18,22,27H,8-11,14-15H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513621 (CHEMBL4588279) Show SMILES C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccc(s1)-c1ccco1 |r,wU:6.9,(3.72,-37.86,;3.72,-39.46,;5.1,-40.25,;4.61,-38.91,;5.48,-38.44,;5.1,-37.06,;6.47,-37.86,;6.47,-39.46,;7.86,-37.07,;9.31,-37.72,;10.38,-36.54,;9.59,-35.16,;8.03,-35.49,;11.92,-36.54,;12.83,-37.78,;14.3,-37.3,;14.3,-35.76,;12.83,-35.29,;15.54,-34.86,;17,-35.33,;17.9,-34.08,;17,-32.84,;15.54,-33.32,)| Show InChI InChI=1S/C17H18N4OS/c1-2-15(22-9-1)17-4-3-16(23-17)13-10-21(19-18-13)14-11-20-7-5-12(14)6-8-20/h1-4,9-10,12,14H,5-8,11H2/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513619 (CHEMBL4452424) Show SMILES OCc1ccc(cc1F)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:19.21,(65.39,-44.8,;63.98,-44.18,;62.74,-45.08,;62.9,-46.62,;61.66,-47.52,;60.25,-46.89,;60.08,-45.37,;61.32,-44.46,;61.16,-42.93,;59.01,-47.79,;59.01,-49.33,;57.55,-49.8,;56.64,-48.57,;57.55,-47.32,;55.11,-48.57,;54.04,-49.75,;52.59,-49.09,;52.76,-47.52,;54.32,-47.19,;51.21,-49.89,;51.21,-51.47,;49.84,-52.26,;48.47,-51.47,;48.47,-49.89,;49.84,-49.09,;50.23,-50.46,;49.36,-50.92,)| Show InChI InChI=1S/C20H21FN4OS/c21-16-9-14(1-2-15(16)12-26)19-3-4-20(27-19)17-10-25(23-22-17)18-11-24-7-5-13(18)6-8-24/h1-4,9-10,13,18,26H,5-8,11-12H2/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513618 (CHEMBL4541067) Show SMILES C(N1CCOCC1)c1ccc(cc1)-c1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:24.27,(38.95,-18.33,;40.46,-18.33,;41.22,-19.63,;42.73,-19.63,;43.48,-18.32,;42.72,-17.01,;41.2,-17.01,;38.2,-19.65,;38.98,-20.98,;38.21,-22.32,;36.67,-22.33,;35.88,-20.99,;36.65,-19.66,;35.89,-23.65,;36.67,-24.99,;35.9,-26.32,;34.36,-26.32,;33.59,-24.99,;34.35,-23.66,;32.06,-24.99,;31.02,-26.14,;29.61,-25.5,;29.78,-23.97,;31.29,-23.65,;28.27,-26.27,;28.27,-27.82,;26.95,-28.58,;25.61,-27.82,;25.61,-26.27,;26.95,-25.49,;27.32,-26.83,;26.48,-27.28,)| Show InChI InChI=1S/C26H31N5O/c1-2-23(21-6-4-20(5-7-21)17-30-12-14-32-15-13-30)16-24(3-1)25-18-31(28-27-25)26-19-29-10-8-22(26)9-11-29/h1-7,16,18,22,26H,8-15,17,19H2/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513582 (CHEMBL4458163) Show SMILES Fc1ccc(cn1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:17.19,(85.12,-47.95,;83.88,-48.85,;82.47,-48.23,;81.24,-49.13,;81.41,-50.65,;82.81,-51.28,;84.04,-50.38,;80.16,-51.55,;80.16,-53.09,;78.7,-53.56,;77.79,-52.32,;78.7,-51.08,;76.26,-52.32,;75.21,-53.5,;73.76,-52.85,;73.93,-51.28,;75.48,-50.96,;72.38,-53.64,;72.38,-55.23,;71.01,-56.01,;69.65,-55.23,;69.65,-53.64,;71.01,-52.85,;71.4,-54.21,;70.53,-54.68,)| Show InChI InChI=1S/C18H18FN5S/c19-18-4-1-13(9-20-18)16-2-3-17(25-16)14-10-24(22-21-14)15-11-23-7-5-12(15)6-8-23/h1-4,9-10,12,15H,5-8,11H2/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513612 (CHEMBL4566621) Show SMILES OCc1cccc(c1)-c1csc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(42.32,-8.33,;41.07,-7.43,;39.67,-8.06,;39.51,-9.6,;38.1,-10.22,;36.86,-9.32,;37.03,-7.78,;38.42,-7.16,;35.79,-6.88,;35.79,-5.34,;34.32,-4.87,;33.41,-6.11,;34.32,-7.36,;31.87,-6.11,;30.8,-7.3,;29.35,-6.65,;29.52,-5.06,;31.08,-4.74,;27.96,-7.44,;27.96,-9.04,;26.59,-9.83,;25.21,-9.04,;25.21,-7.44,;26.59,-6.64,;26.97,-8.02,;26.1,-8.48,)| Show InChI InChI=1S/C20H22N4OS/c25-12-14-2-1-3-16(8-14)17-9-20(26-13-17)18-10-24(22-21-18)19-11-23-6-4-15(19)5-7-23/h1-3,8-10,13,15,19,25H,4-7,11-12H2/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513603 (CHEMBL4473546) Show SMILES C(N1CCOCC1)c1cccc(c1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:23.26,(85.26,-35.75,;86.5,-34.85,;87.91,-35.48,;89.15,-34.58,;89,-33.05,;87.59,-32.42,;86.33,-33.32,;83.85,-35.13,;83.69,-33.59,;82.27,-32.97,;81.04,-33.88,;81.2,-35.4,;82.61,-36.03,;79.96,-36.3,;79.96,-37.84,;78.5,-38.31,;77.59,-37.08,;78.5,-35.83,;76.06,-37.08,;74.99,-38.26,;73.54,-37.6,;73.71,-36.03,;75.27,-35.7,;72.16,-38.4,;72.16,-39.99,;70.79,-40.77,;69.42,-39.99,;69.42,-38.4,;70.79,-37.6,;71.18,-38.97,;70.31,-39.43,)| Show InChI InChI=1S/C24H29N5OS/c1-2-18(15-28-10-12-30-13-11-28)14-20(3-1)23-4-5-24(31-23)21-16-29(26-25-21)22-17-27-8-6-19(22)7-9-27/h1-5,14,16,19,22H,6-13,15,17H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513602 (CHEMBL4544592) Show SMILES CN1CCN(Cc2cccc(c2)-c2ccc(s2)-c2cn(nn2)[C@H]2CN3CCC2CC3)CC1 |r,wU:22.24,(22.33,-48.62,;21.08,-49.52,;21.23,-51.05,;19.99,-51.95,;18.59,-51.32,;17.34,-52.23,;15.94,-51.6,;15.78,-50.07,;14.36,-49.44,;13.12,-50.35,;13.29,-51.87,;14.69,-52.5,;12.04,-52.78,;12.04,-54.31,;10.58,-54.78,;9.68,-53.55,;10.58,-52.3,;8.14,-53.55,;7.08,-54.73,;5.62,-54.08,;5.8,-52.5,;7.35,-52.17,;4.24,-54.87,;4.24,-56.46,;2.88,-57.24,;1.51,-56.46,;1.51,-54.87,;2.88,-54.07,;3.27,-55.44,;2.4,-55.9,;18.42,-49.79,;19.67,-48.89,)| Show InChI InChI=1S/C25H32N6S/c1-28-11-13-30(14-12-28)16-19-3-2-4-21(15-19)24-5-6-25(32-24)22-17-31(27-26-22)23-18-29-9-7-20(23)8-10-29/h2-6,15,17,20,23H,7-14,16,18H2,1H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513600 (CHEMBL4571216) Show SMILES Fc1ccc(cn1)-c1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(64.23,-1.41,;63.46,-2.74,;64.24,-4.08,;63.47,-5.41,;61.93,-5.41,;61.16,-4.09,;61.92,-2.76,;61.17,-6.74,;61.95,-8.08,;61.18,-9.42,;59.64,-9.42,;58.88,-8.08,;59.64,-6.75,;57.34,-8.08,;56.27,-9.26,;54.81,-8.61,;54.99,-7.03,;56.55,-6.71,;53.43,-9.41,;53.43,-11,;52.05,-11.79,;50.68,-11,;50.68,-9.41,;52.05,-8.61,;52.44,-9.98,;51.57,-10.45,)| Show InChI InChI=1S/C20H20FN5/c21-20-5-4-17(11-22-20)15-2-1-3-16(10-15)18-12-26(24-23-18)19-13-25-8-6-14(19)7-9-25/h1-5,10-12,14,19H,6-9,13H2/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513622 (CHEMBL4455712) Show SMILES C(N1CCCCC1)c1cccc(c1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:23.26,(64.17,-37.09,;65.42,-36.19,;66.82,-36.81,;68.06,-35.92,;67.91,-34.38,;66.5,-33.75,;65.25,-34.66,;62.76,-36.46,;62.6,-34.93,;61.19,-34.31,;59.95,-35.21,;60.11,-36.73,;61.52,-37.37,;58.87,-37.64,;58.87,-39.17,;57.41,-39.65,;56.5,-38.41,;57.41,-37.17,;54.97,-38.41,;53.9,-39.59,;52.45,-38.94,;52.63,-37.36,;54.18,-37.04,;51.07,-39.73,;51.07,-41.32,;49.7,-42.11,;48.34,-41.32,;48.34,-39.73,;49.7,-38.93,;50.09,-40.3,;49.22,-40.77,)| Show InChI InChI=1S/C25H31N5S/c1-2-11-28(12-3-1)16-19-5-4-6-21(15-19)24-7-8-25(31-24)22-17-30(27-26-22)23-18-29-13-9-20(23)10-14-29/h4-8,15,17,20,23H,1-3,9-14,16,18H2/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513589 (CHEMBL4455156) Show SMILES OCc1ccc(cc1F)-c1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:20.22,(83.25,-1.6,;81.71,-1.61,;80.94,-2.95,;81.72,-4.28,;80.95,-5.62,;79.41,-5.63,;78.63,-4.3,;79.39,-2.96,;78.61,-1.63,;78.64,-6.95,;79.42,-8.29,;78.65,-9.62,;77.1,-9.62,;76.34,-8.29,;77.1,-6.96,;74.8,-8.29,;73.78,-9.43,;72.37,-8.8,;72.53,-7.26,;74.04,-6.95,;71.03,-9.57,;71.03,-11.11,;69.7,-11.87,;68.37,-11.11,;68.37,-9.57,;69.7,-8.79,;70.08,-10.13,;69.24,-10.58,)| Show InChI InChI=1S/C22H23FN4O/c23-20-11-17(4-5-19(20)14-28)16-2-1-3-18(10-16)21-12-27(25-24-21)22-13-26-8-6-15(22)7-9-26/h1-5,10-12,15,22,28H,6-9,13-14H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513595 (CHEMBL4465776) Show SMILES C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccc(s1)-c1cccs1 |r,wU:6.9,(70.65,-36.82,;70.65,-38.41,;72.02,-39.2,;71.54,-37.86,;72.41,-37.39,;72.02,-36.02,;73.4,-36.82,;73.4,-38.41,;74.78,-36.02,;76.24,-36.67,;77.3,-35.49,;76.52,-34.11,;74.96,-34.44,;78.84,-35.49,;79.76,-36.73,;81.22,-36.26,;81.22,-34.72,;79.76,-34.24,;82.46,-33.81,;83.93,-34.28,;84.83,-33.04,;83.92,-31.79,;82.46,-32.27,)| Show InChI InChI=1S/C17H18N4S2/c1-2-16(22-9-1)17-4-3-15(23-17)13-10-21(19-18-13)14-11-20-7-5-12(14)6-8-20/h1-4,9-10,12,14H,5-8,11H2/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513591 (CHEMBL4586897) Show SMILES Fc1ccc(cn1)-c1csc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:17.19,(86.83,-9.91,;85.59,-9,;85.74,-7.46,;84.5,-6.57,;83.1,-7.19,;82.94,-8.72,;84.18,-9.63,;81.86,-6.29,;81.86,-4.75,;80.4,-4.28,;79.48,-5.52,;80.4,-6.76,;77.95,-5.52,;76.88,-6.71,;75.42,-6.06,;75.6,-4.47,;77.16,-4.15,;74.04,-6.85,;74.04,-8.44,;72.66,-9.24,;71.29,-8.44,;71.29,-6.85,;72.66,-6.05,;73.05,-7.43,;72.18,-7.89,)| Show InChI InChI=1S/C18H18FN5S/c19-18-2-1-13(8-20-18)14-7-17(25-11-14)15-9-24(22-21-15)16-10-23-5-3-12(16)4-6-23/h1-2,7-9,11-12,16H,3-6,10H2/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513610 (CHEMBL4587710) Show SMILES CN1CCN(Cc2cccc(c2)-c2cccc(c2)-c2cn(nn2)[C@H]2CN3CCC2CC3)CC1 |r,wU:23.25,(40.43,-40.29,;39.68,-41.6,;40.44,-42.91,;39.68,-44.21,;38.17,-44.22,;37.42,-45.53,;35.91,-45.54,;35.13,-44.2,;33.58,-44.21,;32.82,-45.55,;33.6,-46.88,;35.14,-46.88,;32.83,-48.21,;33.6,-49.55,;32.83,-50.88,;31.29,-50.88,;30.52,-49.55,;31.29,-48.21,;28.99,-49.55,;27.96,-50.69,;26.55,-50.06,;26.71,-48.52,;28.22,-48.2,;25.21,-50.83,;25.21,-52.37,;23.88,-53.14,;22.54,-52.37,;22.54,-50.83,;23.88,-50.05,;24.25,-51.39,;23.41,-51.84,;37.41,-42.91,;38.16,-41.6,)| Show InChI InChI=1S/C27H34N6/c1-30-12-14-32(15-13-30)18-21-4-2-5-23(16-21)24-6-3-7-25(17-24)26-19-33(29-28-26)27-20-31-10-8-22(27)9-11-31/h2-7,16-17,19,22,27H,8-15,18,20H2,1H3/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513590 (CHEMBL4464177) Show SMILES FCc1cccc(c1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(85.79,-20.84,;84.55,-21.74,;83.15,-21.12,;82.99,-19.59,;81.57,-18.97,;80.34,-19.87,;80.5,-21.39,;81.91,-22.03,;79.25,-22.3,;79.25,-23.84,;77.79,-24.31,;76.88,-23.07,;77.79,-21.83,;75.35,-23.07,;74.29,-24.26,;72.83,-23.6,;73.01,-22.03,;74.56,-21.7,;71.45,-24.4,;71.45,-25.98,;70.08,-26.77,;68.71,-25.98,;68.71,-24.4,;70.08,-23.6,;70.47,-24.97,;69.6,-25.43,)| Show InChI InChI=1S/C20H21FN4S/c21-11-14-2-1-3-16(10-14)19-4-5-20(26-19)17-12-25(23-22-17)18-13-24-8-6-15(18)7-9-24/h1-5,10,12,15,18H,6-9,11,13H2/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513597 (CHEMBL4462746) Show SMILES C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccc(s1)-c1ccccc1 |r,wU:6.9,(70.11,-21.44,;70.11,-23.02,;71.48,-23.81,;71,-22.47,;71.87,-22.01,;71.48,-20.64,;72.85,-21.44,;72.85,-23.02,;74.23,-20.65,;75.68,-21.3,;76.74,-20.12,;75.95,-18.75,;74.4,-19.07,;78.27,-20.12,;79.18,-21.35,;80.64,-20.88,;80.64,-19.35,;79.18,-18.88,;81.88,-18.44,;83.28,-19.08,;84.52,-18.17,;84.36,-16.64,;82.95,-16.02,;81.72,-16.92,)| Show InChI InChI=1S/C19H20N4S/c1-2-4-15(5-3-1)18-6-7-19(24-18)16-12-23(21-20-16)17-13-22-10-8-14(17)9-11-22/h1-7,12,14,17H,8-11,13H2/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513586 (CHEMBL4471958) Show SMILES C(N1CCOCC1)c1cccc(c1)-c1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:24.27,(16,-44.44,;16.75,-43.13,;18.27,-43.12,;19.02,-41.82,;18.26,-40.51,;16.75,-40.51,;15.99,-41.82,;14.49,-44.45,;13.72,-43.11,;12.16,-43.12,;11.4,-44.46,;12.18,-45.79,;13.73,-45.79,;11.41,-47.12,;12.18,-48.46,;11.42,-49.79,;9.87,-49.79,;9.11,-48.46,;9.87,-47.13,;7.57,-48.46,;6.54,-49.6,;5.13,-48.97,;5.29,-47.43,;6.8,-47.11,;3.79,-49.74,;3.79,-51.28,;2.46,-52.05,;1.12,-51.28,;1.12,-49.74,;2.46,-48.96,;2.83,-50.3,;1.99,-50.75,)| Show InChI InChI=1S/C26H31N5O/c1-3-20(17-30-11-13-32-14-12-30)15-22(4-1)23-5-2-6-24(16-23)25-18-31(28-27-25)26-19-29-9-7-21(26)8-10-29/h1-6,15-16,18,21,26H,7-14,17,19H2/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513614 (CHEMBL4458403) Show SMILES C1Cc2cc(ccc2O1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:19.22,(40.12,-30.17,;38.61,-30.5,;38.46,-32.03,;37.23,-32.94,;37.4,-34.45,;38.8,-35.09,;40.03,-34.18,;39.87,-32.65,;40.9,-31.5,;36.15,-35.36,;36.15,-36.89,;34.7,-37.36,;33.79,-36.13,;34.7,-34.89,;32.26,-36.13,;31.2,-37.31,;29.75,-36.66,;29.92,-35.08,;31.47,-34.76,;28.37,-37.45,;28.37,-39.03,;27,-39.82,;25.64,-39.03,;25.64,-37.45,;27,-36.65,;27.39,-38.02,;26.53,-38.48,)| Show InChI InChI=1S/C21H22N4OS/c1-2-19-15(7-10-26-19)11-16(1)20-3-4-21(27-20)17-12-25(23-22-17)18-13-24-8-5-14(18)6-9-24/h1-4,11-12,14,18H,5-10,13H2/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50593636 (CHEMBL5192732) Show SMILES CCNC(=O)C1=CC2C(N1)C(=O)N(C)C=C2c1cc(ccc1Oc1c(C)cc(F)cc1C)S(=O)(=O)CC |c:15,t:5| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01835 BindingDB Entry DOI: 10.7270/Q2V98D2C
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50513593 (CHEMBL4446864) Show SMILES COC(=O)c1ccc(cc1F)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:21.23,(20.46,-2.91,;19.22,-3.82,;17.81,-3.2,;17.65,-1.67,;16.57,-4.1,;15.15,-3.48,;13.92,-4.39,;14.08,-5.91,;15.49,-6.55,;16.73,-5.64,;18.14,-6.26,;12.84,-6.82,;12.84,-8.36,;11.37,-8.83,;10.46,-7.59,;11.37,-6.35,;8.92,-7.59,;7.86,-8.78,;6.41,-8.12,;6.58,-6.54,;8.14,-6.22,;5.02,-8.92,;5.02,-10.51,;3.65,-11.3,;2.28,-10.51,;2.28,-8.92,;3.65,-8.12,;4.04,-9.49,;3.17,-9.96,)| Show InChI InChI=1S/C21H21FN4O2S/c1-28-21(27)15-3-2-14(10-16(15)22)19-4-5-20(29-19)17-11-26(24-23-17)18-12-25-8-6-13(18)7-9-25/h2-5,10-11,13,18H,6-9,12H2,1H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis				Eur J Med Chem 179: 449-469 (2019) Article DOI: 10.1016/j.ejmech.2019.06.049 BindingDB Entry DOI: 10.7270/Q2R49V3X
					More data for this Ligand-Target Pair

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