Compile Data Set for Download or QSAR

Found 646 hits with Last Name = 'akunne' and Initial = 'h'   

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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50290221 (CHEMBL80919 | Thiophene-2-carboxylic acid (4-{2-[4...) Show SMILES Clc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccs3)CC2)c1Cl |wU:12.11,wD:15.18,(20.53,-4.53,;19.79,-5.88,;20.6,-7.19,;19.85,-8.55,;18.31,-8.59,;17.52,-7.26,;15.98,-7.29,;15.24,-8.63,;13.7,-8.66,;12.91,-7.36,;11.37,-7.38,;10.6,-8.73,;9.06,-8.73,;8.29,-10.06,;6.75,-10.06,;5.98,-8.73,;6.74,-7.4,;8.28,-7.4,;4.44,-8.75,;3.67,-10.08,;2.13,-10.09,;4.44,-11.41,;5.98,-11.49,;5.83,-14.15,;4.3,-14.05,;3.59,-12.7,;13.66,-6,;15.2,-5.98,;18.25,-5.91,;17.46,-4.6,)| Show InChI InChI=1S/C23H29Cl2N3OS/c24-19-3-1-4-20(22(19)25)28-14-12-27(13-15-28)11-10-17-6-8-18(9-7-17)26-23(29)21-5-2-16-30-21/h1-5,16-18H,6-15H2,(H,26,29)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace radioligand [3H]N-0437 from human dopamine D2 receptor transfected chinese hamster ovary cell membranes.				Bioorg Med Chem Lett 7: 2403-2408 (1997) Article DOI: 10.1016/S0960-894X(97)00443-5 BindingDB Entry DOI: 10.7270/Q27W6CQ0
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50063292 (CHEMBL349426 | {4-[2-(4-Phenyl-piperazin-1-yl)-eth...) Show SMILES C(CN1CCN(CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccccc12 |wU:17.22,wD:14.15,(10.31,-6.02,;11.15,-7.32,;12.69,-7.24,;13.39,-5.86,;14.93,-5.79,;15.76,-7.07,;15.07,-8.45,;13.53,-8.53,;17.3,-7,;17.99,-5.63,;19.5,-5.53,;20.36,-6.83,;19.66,-8.19,;18.13,-8.28,;8.79,-6.11,;7.95,-4.81,;6.42,-4.88,;5.72,-6.26,;6.55,-7.54,;8.09,-7.47,;4.18,-6.33,;3.34,-5.04,;4.04,-3.66,;3.23,-2.36,;1.69,-2.43,;.99,-3.81,;-.55,-3.87,;-1.26,-5.23,;-.44,-6.54,;1.1,-6.47,;1.8,-5.11,)| Show InChI InChI=1S/C26H33N5/c1-2-6-23(7-3-1)31-18-16-30(17-19-31)15-14-21-10-12-22(13-11-21)29-26-24-8-4-5-9-25(24)27-20-28-26/h1-9,20-22H,10-19H2,(H,27,28,29)/t21-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells				J Med Chem 41: 760-71 (1998) Article DOI: 10.1021/jm9707378 BindingDB Entry DOI: 10.7270/Q20G3J97
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (MOUSE)	BDBM50286859 (2-{2-[(S)-2-({1-[(S)-6-Amino-2-((S)-(S)-2,6-diamin...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C40H67N9O6/c1-5-26(4)35(38(52)47-33(40(54)55)21-25(2)3)48-36(50)32(22-27-23-44-30-15-7-6-14-29(27)30)46-37(51)34-17-12-20-49(34)39(53)31(16-9-11-19-42)45-24-28(43)13-8-10-18-41/h6-7,14-15,23,25-26,28,31-35,44-45H,5,8-13,16-22,24,41-43H2,1-4H3,(H,46,51)(H,47,52)(H,48,50)(H,54,55)/t26-,28-,31-,32-,33-,34+,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0600	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 Neurotensin Receptor				Bioorg Med Chem Lett 5: 997-1002 (1995) Article DOI: 10.1016/0960-894X(95)00155-M BindingDB Entry DOI: 10.7270/Q2GQ6Z76
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells				J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neurotensin receptor type 1 (MOUSE)	BDBM50240339 ((S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-5-g...) Show SMILES CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C |r,wU:2.1,43.45,wD:25.26,29.29,47.49,13.12,(-9.76,-17.57,;-8.43,-18.35,;-7.09,-17.6,;-7.09,-16.06,;-8.41,-15.28,;-8.4,-13.73,;-9.73,-12.95,;-9.72,-11.41,;-11.06,-10.63,;-8.38,-10.64,;-5.76,-18.38,;-5.77,-19.91,;-4.42,-17.61,;-3.09,-18.39,;-3.1,-19.93,;-4.44,-20.7,;-4.45,-22.24,;-5.78,-23,;-5.8,-24.54,;-1.74,-17.63,;-1.73,-16.1,;-.42,-18.41,;-0,-19.94,;1.55,-19.94,;2.08,-18.51,;.87,-17.56,;.94,-16,;-.36,-15.18,;2.3,-15.29,;3.6,-16.11,;3.53,-17.65,;4.83,-18.49,;6.26,-17.92,;7.23,-19.11,;6.4,-20.41,;6.81,-21.89,;5.72,-22.98,;4.24,-22.59,;3.84,-21.1,;4.92,-20.02,;4.97,-15.4,;5.05,-13.86,;6.27,-16.23,;7.64,-15.53,;8.93,-16.36,;8.86,-17.9,;10.3,-15.65,;11.59,-16.49,;11.52,-18.02,;12.82,-18.86,;12.82,-20.4,;14.19,-18.15,;12.96,-15.78,;14.25,-16.61,;13.04,-14.25,;7.72,-13.99,;7.71,-12.44,;9.26,-14.02,;6.18,-13.96,)| Show InChI InChI=1S/C41H67N11O7/c1-24(2)21-31(39(58)59)50-37(56)33(41(3,4)5)51-35(54)30(22-25-23-47-27-14-8-7-13-26(25)27)49-36(55)32-17-12-20-52(32)38(57)29(15-9-10-18-42)48-34(53)28(45-6)16-11-19-46-40(43)44/h7-8,13-14,23-24,28-33,45,47H,9-12,15-22,42H2,1-6H3,(H,48,53)(H,49,55)(H,50,56)(H,51,54)(H,58,59)(H4,43,44,46)/t28-,29-,30-,31-,32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for its binding affinity against Neurotensin Receptor after peripheral administration				Bioorg Med Chem Lett 5: 997-1002 (1995) Article DOI: 10.1016/0960-894X(95)00155-M BindingDB Entry DOI: 10.7270/Q2GQ6Z76
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]- prazosin binding against Alpha-1A adrenergic receptor from rat submaxillary gland				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343274 (7-(4-(4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperaz...) Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCCc34)nc2N1 Show InChI InChI=1S/C26H34N4O2/c31-24-12-10-21-11-13-25(28-26(21)27-24)32-19-4-3-14-29-15-17-30(18-16-29)23-9-5-7-20-6-1-2-8-22(20)23/h5,7,9,11,13H,1-4,6,8,10,12,14-19H2,(H,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (MOUSE)	BDBM50286864 ((S)-2-{(S)-2-[(S)-2-({(R)-1-[5-Guanidino-2-(3-guan...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)C(CCCNC(N)=N)CCCNC(N)=N)C(C)(C)C)C(O)=O Show InChI InChI=1S/C38H61N11O6/c1-22(2)19-28(35(54)55)47-33(52)30(38(3,4)5)48-31(50)27(20-24-21-45-26-14-7-6-13-25(24)26)46-32(51)29-15-10-18-49(29)34(53)23(11-8-16-43-36(39)40)12-9-17-44-37(41)42/h6-7,13-14,21-23,27-30,45H,8-12,15-20H2,1-5H3,(H,46,51)(H,47,52)(H,48,50)(H,54,55)(H4,39,40,43)(H4,41,42,44)/t27-,28-,29+,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.100	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 Neurotensin Receptor				Bioorg Med Chem Lett 5: 997-1002 (1995) Article DOI: 10.1016/0960-894X(95)00155-M BindingDB Entry DOI: 10.7270/Q2GQ6Z76
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343260 (7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)...) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl Show InChI InChI=1S/C22H26Cl2N4O2/c23-17-4-3-5-18(21(17)24)28-13-11-27(12-14-28)10-1-2-15-30-20-9-7-16-6-8-19(29)25-22(16)26-20/h3-5,7,9H,1-2,6,8,10-15H2,(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343277 (7-(4-(4-(naphthalen-1-yl)piperazin-1-yl)butoxy)-3,...) Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4ccccc34)nc2N1 Show InChI InChI=1S/C26H30N4O2/c31-24-12-10-21-11-13-25(28-26(21)27-24)32-19-4-3-14-29-15-17-30(18-16-29)23-9-5-7-20-6-1-2-8-22(20)23/h1-2,5-9,11,13H,3-4,10,12,14-19H2,(H,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50063279 (CHEMBL309623 | Cyclohexanecarboxylic acid {4-[2-(4...) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1)C1CCCCC1 |wU:6.6,wD:3.2,(1.34,-9.45,;2.88,-9.43,;3.66,-8.1,;5.2,-8.1,;5.97,-9.43,;7.51,-9.42,;8.29,-8.08,;9.83,-8.08,;10.6,-6.74,;12.14,-6.71,;12.89,-5.36,;14.44,-5.33,;15.22,-6.65,;14.48,-7.98,;12.94,-8.02,;16.77,-6.62,;17.56,-7.94,;19.09,-7.91,;19.85,-6.56,;19.04,-5.22,;17.5,-5.27,;7.51,-6.76,;5.96,-6.77,;3.66,-10.76,;5.19,-10.76,;5.95,-12.1,;5.18,-13.42,;3.66,-13.42,;2.88,-12.1,)| Show InChI InChI=1S/C25H39N3O/c29-25(22-7-3-1-4-8-22)26-23-13-11-21(12-14-23)15-16-27-17-19-28(20-18-27)24-9-5-2-6-10-24/h2,5-6,9-10,21-23H,1,3-4,7-8,11-20H2,(H,26,29)/t21-,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells				J Med Chem 41: 760-71 (1998) Article DOI: 10.1021/jm9707378 BindingDB Entry DOI: 10.7270/Q20G3J97
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50010621 (6-[Propyl-(2-thiophen-3-yl-ethyl)-amino]-5,6,7,8-t...) Show SMILES CCCN(CCc1ccsc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C19H25NOS/c1-2-10-20(11-8-15-9-12-22-14-15)17-6-7-18-16(13-17)4-3-5-19(18)21/h3-5,9,12,14,17,21H,2,6-8,10-11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells				J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50063279 (CHEMBL309623 | Cyclohexanecarboxylic acid {4-[2-(4...) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1)C1CCCCC1 |wU:6.6,wD:3.2,(1.34,-9.45,;2.88,-9.43,;3.66,-8.1,;5.2,-8.1,;5.97,-9.43,;7.51,-9.42,;8.29,-8.08,;9.83,-8.08,;10.6,-6.74,;12.14,-6.71,;12.89,-5.36,;14.44,-5.33,;15.22,-6.65,;14.48,-7.98,;12.94,-8.02,;16.77,-6.62,;17.56,-7.94,;19.09,-7.91,;19.85,-6.56,;19.04,-5.22,;17.5,-5.27,;7.51,-6.76,;5.96,-6.77,;3.66,-10.76,;5.19,-10.76,;5.95,-12.1,;5.18,-13.42,;3.66,-13.42,;2.88,-12.1,)| Show InChI InChI=1S/C25H39N3O/c29-25(22-7-3-1-4-8-22)26-23-13-11-21(12-14-23)15-16-27-17-19-28(20-18-27)24-9-5-2-6-10-24/h2,5-6,9-10,21-23H,1,3-4,7-8,11-20H2,(H,26,29)/t21-,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace radioligand [3H]spiperone from human dopamine D3 receptor transfected chinese hamster ovary cell membranes.				Bioorg Med Chem Lett 7: 2403-2408 (1997) Article DOI: 10.1016/S0960-894X(97)00443-5 BindingDB Entry DOI: 10.7270/Q27W6CQ0
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (MOUSE)	BDBM50366427 (CHEMBL1793865) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C38H66N8O7/c1-5-25(4)33(36(50)44-31(38(52)53)21-24(2)3)45-34(48)30(22-26-14-16-28(47)17-15-26)43-35(49)32-13-10-20-46(32)37(51)29(12-7-9-19-40)42-23-27(41)11-6-8-18-39/h14-17,24-25,27,29-33,42,47H,5-13,18-23,39-41H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)(H,52,53)/t25-,27-,29-,30-,31-,32+,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	0.150	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 Neurotensin Receptor				Bioorg Med Chem Lett 5: 997-1002 (1995) Article DOI: 10.1016/0960-894X(95)00155-M BindingDB Entry DOI: 10.7270/Q2GQ6Z76
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]- prazosin binding against Alpha-1B adrenergic receptor from rat liver				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343273 (7-(4-(4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl)...) Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCc34)nc2N1 Show InChI InChI=1S/C25H32N4O2/c30-23-11-9-20-10-12-24(27-25(20)26-23)31-18-2-1-13-28-14-16-29(17-15-28)22-8-4-6-19-5-3-7-21(19)22/h4,6,8,10,12H,1-3,5,7,9,11,13-18H2,(H,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343276 (7-(4-(4-(chroman-8-yl)piperazin-1-yl)butoxy)-3,4-d...) Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCOc34)nc2N1 Show InChI InChI=1S/C25H32N4O3/c30-22-10-8-20-9-11-23(27-25(20)26-22)31-17-2-1-12-28-13-15-29(16-14-28)21-7-3-5-19-6-4-18-32-24(19)21/h3,5,7,9,11H,1-2,4,6,8,10,12-18H2,(H,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343283 (7-(4-(4-(7-fluoronaphthalen-1-yl)piperazin-1-yl)bu...) Show SMILES Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CCC(=O)Nc5n4)CC3)c2c1 Show InChI InChI=1S/C26H29FN4O2/c27-21-9-6-19-4-3-5-23(22(19)18-21)31-15-13-30(14-16-31)12-1-2-17-33-25-11-8-20-7-10-24(32)28-26(20)29-25/h3-6,8-9,11,18H,1-2,7,10,12-17H2,(H,28,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Tested for [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membrane				J Med Chem 36: 3929-36 (1994) BindingDB Entry DOI: 10.7270/Q2C828CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343268 (7-(4-(4-(2,3-dimethylphenyl)piperazin-1-yl)butoxy)...) Show SMILES Cc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1C Show InChI InChI=1S/C24H32N4O2/c1-18-6-5-7-21(19(18)2)28-15-13-27(14-16-28)12-3-4-17-30-23-11-9-20-8-10-22(29)25-24(20)26-23/h5-7,9,11H,3-4,8,10,12-17H2,1-2H3,(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50052535 (3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...) Show SMILES Nc1cccc(c1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15| Show InChI InChI=1S/C21H22N2/c22-21-11-6-8-18(17-21)7-4-5-14-23-15-12-20(13-16-23)19-9-2-1-3-10-19/h1-3,6,8-12,17H,5,13-16,22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand				J Med Chem 39: 3179-87 (1996) Article DOI: 10.1021/jm950721m BindingDB Entry DOI: 10.7270/Q23N22GZ
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (MOUSE)	BDBM50286868 ((1S,2S,4S)-2-{2-[(S)-2-({1-[6-Amino-2-(2,6-diamino...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(C)(C)C)C(O)=O Show InChI InChI=1S/C38H66N8O7/c1-24(2)21-30(37(52)53)44-35(50)32(38(3,4)5)45-33(48)29(22-25-14-16-27(47)17-15-25)43-34(49)31-13-10-20-46(31)36(51)28(12-7-9-19-40)42-23-26(41)11-6-8-18-39/h14-17,24,26,28-32,42,47H,6-13,18-23,39-41H2,1-5H3,(H,43,49)(H,44,50)(H,45,48)(H,52,53)/t26-,28-,29-,30-,31+,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.400	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 Neurotensin Receptor				Bioorg Med Chem Lett 5: 997-1002 (1995) Article DOI: 10.1016/0960-894X(95)00155-M BindingDB Entry DOI: 10.7270/Q2GQ6Z76
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50002173 (3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-...) Show SMILES Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15| Show InChI InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D3 in CHO-K1 cells using [3H]-Spiperone as radioligand				J Med Chem 39: 3179-87 (1996) Article DOI: 10.1021/jm950721m BindingDB Entry DOI: 10.7270/Q23N22GZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine receptor D2				J Med Chem 36: 3929-36 (1994) BindingDB Entry DOI: 10.7270/Q2C828CS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343266 (7-(4-(4-(2-chloro-3-methylphenyl)piperazin-1-yl)bu...) Show SMILES Cc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl Show InChI InChI=1S/C23H29ClN4O2/c1-17-5-4-6-19(22(17)24)28-14-12-27(13-15-28)11-2-3-16-30-21-10-8-18-7-9-20(29)25-23(18)26-21/h4-6,8,10H,2-3,7,9,11-16H2,1H3,(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50063281 ((4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}...) Show SMILES COc1ccccc1N1CCN(CC[C@H]2CC[C@@H](CC2)Nc2ncccn2)CC1 |wU:17.21,wD:14.14,(16.78,-2.98,;16.09,-4.37,;16.94,-5.65,;18.47,-5.56,;19.33,-6.85,;18.62,-8.23,;17.09,-8.3,;16.26,-7.01,;14.71,-7.11,;14.02,-8.49,;12.47,-8.56,;11.63,-7.27,;10.08,-7.34,;9.24,-6.05,;7.71,-6.12,;6.86,-4.83,;5.33,-4.9,;4.62,-6.29,;5.46,-7.57,;7,-7.5,;3.07,-6.36,;2.23,-5.04,;2.95,-3.69,;2.11,-2.37,;.56,-2.44,;-.14,-3.83,;.7,-5.14,;12.33,-5.89,;13.87,-5.82,)| Show InChI InChI=1S/C23H33N5O/c1-29-22-6-3-2-5-21(22)28-17-15-27(16-18-28)14-11-19-7-9-20(10-8-19)26-23-24-12-4-13-25-23/h2-6,12-13,19-20H,7-11,14-18H2,1H3,(H,24,25,26)/t19-,20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...				J Med Chem 41: 760-71 (1998) Article DOI: 10.1021/jm9707378 BindingDB Entry DOI: 10.7270/Q20G3J97
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50010289 ((R)6-(Phenethyl-propyl-amino)-5,6,7,8-tetrahydro-n...) Show SMILES CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells				J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50054070 (6-Propylamino-5,6,7,8-tetrahydro-naphthalen-1-ol |...) Show SMILES CCCNC1CCc2c(O)cccc2C1 Show InChI InChI=1S/C13H19NO/c1-2-8-14-11-6-7-12-10(9-11)4-3-5-13(12)15/h3-5,11,14-15H,2,6-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells				J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50054067 ((2R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen...) Show SMILES CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace radioligand [3H]N-0437 from human dopamine D2 receptor transfected chinese hamster ovary cell membranes.				Bioorg Med Chem Lett 7: 2403-2408 (1997) Article DOI: 10.1016/S0960-894X(97)00443-5 BindingDB Entry DOI: 10.7270/Q27W6CQ0
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50290206 (CHEMBL78800 | Thiophene-2-carboxylic acid (4-{2-[4...) Show SMILES Clc1ccccc1N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2cccs2)CC1 |wU:13.13,wD:16.20,(14.4,-.17,;15.21,-1.48,;16.74,-1.45,;17.55,-2.76,;16.81,-4.11,;15.27,-4.15,;14.47,-2.83,;12.93,-2.85,;12.2,-4.2,;10.66,-4.23,;9.85,-2.92,;8.31,-2.95,;7.56,-4.29,;6.02,-4.3,;5.23,-5.63,;3.69,-5.63,;2.94,-4.3,;3.69,-2.97,;5.23,-2.97,;1.4,-4.32,;.63,-5.65,;-.91,-5.65,;1.4,-6.98,;2.92,-7.05,;2.78,-9.71,;1.24,-9.62,;.54,-8.27,;10.6,-1.57,;12.14,-1.55,)| Show InChI InChI=1S/C23H30ClN3OS/c24-20-4-1-2-5-21(20)27-15-13-26(14-16-27)12-11-18-7-9-19(10-8-18)25-23(28)22-6-3-17-29-22/h1-6,17-19H,7-16H2,(H,25,28)/t18-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace radioligand [3H]spiperone from human dopamine D3 receptor transfected chinese hamster ovary cell membranes.				Bioorg Med Chem Lett 7: 2403-2408 (1997) Article DOI: 10.1016/S0960-894X(97)00443-5 BindingDB Entry DOI: 10.7270/Q27W6CQ0
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (MOUSE)	BDBM50240845 ((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...) Show SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25+,26+,27+,28+,29+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	0.520	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 Neurotensin Receptor				Bioorg Med Chem Lett 5: 997-1002 (1995) Article DOI: 10.1016/0960-894X(95)00155-M BindingDB Entry DOI: 10.7270/Q2GQ6Z76
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50115277 ((2R,3R)-6-Dipropylamino-5,6,7,8-tetrahydro-naphtha...) Show SMILES CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.				J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50054067 ((2R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen...) Show SMILES CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.				J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50290225 (CHEMBL78950 | Thiophene-2-carboxylic acid (4-{2-[4...) Show SMILES COc1ccccc1N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2cccs2)CC1 |wU:14.14,wD:17.21,(16.01,-4.6,;17.55,-4.56,;18.35,-5.88,;19.89,-5.84,;20.69,-7.16,;19.95,-8.52,;18.41,-8.55,;17.61,-7.22,;16.07,-7.26,;15.34,-8.59,;13.8,-8.62,;13,-7.31,;11.46,-7.35,;10.69,-8.69,;9.15,-8.69,;8.38,-10.02,;6.84,-10.03,;6.07,-8.7,;6.84,-7.37,;8.38,-7.36,;4.53,-8.71,;3.76,-10.04,;2.22,-10.04,;4.53,-11.37,;6.07,-11.46,;5.93,-14.1,;4.39,-14.02,;3.69,-12.65,;13.75,-5.97,;15.29,-5.93,)| Show InChI InChI=1S/C24H33N3O2S/c1-29-22-6-3-2-5-21(22)27-16-14-26(15-17-27)13-12-19-8-10-20(11-9-19)25-24(28)23-7-4-18-30-23/h2-7,18-20H,8-17H2,1H3,(H,25,28)/t19-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace radioligand [3H]spiperone from human dopamine D3 receptor transfected chinese hamster ovary cell membranes.				Bioorg Med Chem Lett 7: 2403-2408 (1997) Article DOI: 10.1016/S0960-894X(97)00443-5 BindingDB Entry DOI: 10.7270/Q27W6CQ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50290221 (CHEMBL80919 | Thiophene-2-carboxylic acid (4-{2-[4...) Show SMILES Clc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccs3)CC2)c1Cl |wU:12.11,wD:15.18,(20.53,-4.53,;19.79,-5.88,;20.6,-7.19,;19.85,-8.55,;18.31,-8.59,;17.52,-7.26,;15.98,-7.29,;15.24,-8.63,;13.7,-8.66,;12.91,-7.36,;11.37,-7.38,;10.6,-8.73,;9.06,-8.73,;8.29,-10.06,;6.75,-10.06,;5.98,-8.73,;6.74,-7.4,;8.28,-7.4,;4.44,-8.75,;3.67,-10.08,;2.13,-10.09,;4.44,-11.41,;5.98,-11.49,;5.83,-14.15,;4.3,-14.05,;3.59,-12.7,;13.66,-6,;15.2,-5.98,;18.25,-5.91,;17.46,-4.6,)| Show InChI InChI=1S/C23H29Cl2N3OS/c24-19-3-1-4-20(22(19)25)28-14-12-27(13-15-28)11-10-17-6-8-18(9-7-17)26-23(29)21-5-2-16-30-21/h1-5,16-18H,6-15H2,(H,26,29)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace radioligand [3H]N-0437 from human dopamine D2 receptor transfected chinese hamster ovary cell membranes.				Bioorg Med Chem Lett 7: 2403-2408 (1997) Article DOI: 10.1016/S0960-894X(97)00443-5 BindingDB Entry DOI: 10.7270/Q27W6CQ0
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50054067 ((2R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen...) Show SMILES CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace radioligand [3H]spiperone from human dopamine D3 receptor transfected chinese hamster ovary cell membranes.				Bioorg Med Chem Lett 7: 2403-2408 (1997) Article DOI: 10.1016/S0960-894X(97)00443-5 BindingDB Entry DOI: 10.7270/Q27W6CQ0
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50054077 (7-Propylamino-5,6,7,8-tetrahydro-naphthalen-2-ol |...) Show SMILES CCCNC1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C13H19NO/c1-2-7-14-12-5-3-10-4-6-13(15)9-11(10)8-12/h4,6,9,12,14-15H,2-3,5,7-8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.				J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50054075 (7-(Methyl-propyl-amino)-5,6,7,8-tetrahydro-naphtha...) Show SMILES CCCN(C)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C14H21NO/c1-3-8-15(2)13-6-4-11-5-7-14(16)10-12(11)9-13/h5,7,10,13,16H,3-4,6,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells				J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343284 (7-(4-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)bu...) Show SMILES Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CCC(=O)Nc5n4)CC3)c12 Show InChI InChI=1S/C26H29FN4O2/c27-21-7-3-5-19-6-4-8-22(25(19)21)31-16-14-30(15-17-31)13-1-2-18-33-24-12-10-20-9-11-23(32)28-26(20)29-24/h3-8,10,12H,1-2,9,11,13-18H2,(H,28,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50052531 (4-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...) Show SMILES Nc1ccc(cc1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15| Show InChI InChI=1S/C21H22N2/c22-21-11-9-18(10-12-21)6-4-5-15-23-16-13-20(14-17-23)19-7-2-1-3-8-19/h1-3,7-13H,5,14-17,22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinityagainst Dopamine receptor D2 in CHO-K1 cells using radioligand [3H]-NPA binding assay				J Med Chem 39: 3179-87 (1996) Article DOI: 10.1021/jm950721m BindingDB Entry DOI: 10.7270/Q23N22GZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50343276 (7-(4-(4-(chroman-8-yl)piperazin-1-yl)butoxy)-3,4-d...) Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCOc34)nc2N1 Show InChI InChI=1S/C25H32N4O3/c30-22-10-8-20-9-11-23(27-25(20)26-22)31-17-2-1-12-28-13-15-29(16-14-28)21-7-3-5-19-6-4-18-32-24(19)21/h3,5,7,9,11H,1-2,4,6,8,10,12-18H2,(H,26,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from human dopamine D2L receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50054069 (7-(Ethyl-methyl-amino)-5,6,7,8-tetrahydro-naphthal...) Show SMILES CCN(C)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C13H19NO/c1-3-14(2)12-6-4-10-5-7-13(15)9-11(10)8-12/h5,7,9,12,15H,3-4,6,8H2,1-2H3	PDB UniProtKB/SwissProt 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
University of Groningen Curated by ChEMBL					Assay Description Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.				J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50054075 (7-(Methyl-propyl-amino)-5,6,7,8-tetrahydro-naphtha...) Show SMILES CCCN(C)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C14H21NO/c1-3-8-15(2)13-6-4-11-5-7-14(16)10-12(11)9-13/h5,7,10,13,16H,3-4,6,8-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.				J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50054082 (7-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7,8-t...) Show SMILES CCCN(CCc1cccs1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C19H25NOS/c1-2-10-20(11-9-19-4-3-12-22-19)17-7-5-15-6-8-18(21)14-16(15)13-17/h3-4,6,8,12,14,17,21H,2,5,7,9-11,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.				J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50054070 (6-Propylamino-5,6,7,8-tetrahydro-naphthalen-1-ol |...) Show SMILES CCCNC1CCc2c(O)cccc2C1 Show InChI InChI=1S/C13H19NO/c1-2-8-14-11-6-7-12-10(9-11)4-3-5-13(12)15/h3-5,11,14-15H,2,6-9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.				J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50054082 (7-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7,8-t...) Show SMILES CCCN(CCc1cccs1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C19H25NOS/c1-2-10-20(11-9-19-4-3-12-22-19)17-7-5-15-6-8-18(21)14-16(15)13-17/h3-4,6,8,12,14,17,21H,2,5,7,9-11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells				J Med Chem 39: 4233-7 (1996) Article DOI: 10.1021/jm960345l BindingDB Entry DOI: 10.7270/Q21C1XJF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343284 (7-(4-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)bu...) Show SMILES Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CCC(=O)Nc5n4)CC3)c12 Show InChI InChI=1S/C26H29FN4O2/c27-21-7-3-5-19-6-4-8-22(25(19)21)31-16-14-30(15-17-31)13-1-2-18-33-24-12-10-20-9-11-23(32)28-26(20)29-24/h3-8,10,12H,1-2,9,11,13-18H2,(H,28,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343275 (7-(4-(4-(chroman-5-yl)piperazin-1-yl)butoxy)-3,4-d...) Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4OCCCc34)nc2N1 Show InChI InChI=1S/C25H32N4O3/c30-23-10-8-19-9-11-24(27-25(19)26-23)32-17-2-1-12-28-13-15-29(16-14-28)21-6-3-7-22-20(21)5-4-18-31-22/h3,6-7,9,11H,1-2,4-5,8,10,12-18H2,(H,26,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343259 (7-(5-(4-(2,3-dichlorophenyl)piperazin-1-yl)pentyl)...) Show SMILES Clc1cccc(N2CCN(CCCCCc3ccc4CCC(=O)Nc4n3)CC2)c1Cl Show InChI InChI=1S/C23H28Cl2N4O/c24-19-6-4-7-20(22(19)25)29-15-13-28(14-16-29)12-3-1-2-5-18-10-8-17-9-11-21(30)27-23(17)26-18/h4,6-8,10H,1-3,5,9,11-16H2,(H,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50063291 (CHEMBL78791 | Thiophene-2-carboxylic acid {4-[2-(4...) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1)c1cccs1 |wU:6.6,wD:3.2,(-4.1,-5.89,;-2.56,-5.89,;-1.79,-4.56,;-.25,-4.55,;.52,-5.88,;2.06,-5.86,;2.83,-4.53,;4.37,-4.53,;5.14,-3.2,;6.68,-3.16,;7.43,-1.82,;8.97,-1.78,;9.75,-3.1,;9.01,-4.44,;7.47,-4.46,;11.29,-3.06,;12.09,-4.39,;13.63,-4.36,;14.37,-3.01,;13.56,-1.69,;12.02,-1.73,;2.05,-3.2,;.51,-3.22,;-1.79,-7.22,;-.25,-7.3,;-.4,-9.95,;-1.93,-9.87,;-2.64,-8.5,)| Show InChI InChI=1S/C23H31N3OS/c27-23(22-7-4-18-28-22)24-20-10-8-19(9-11-20)12-13-25-14-16-26(17-15-25)21-5-2-1-3-6-21/h1-7,18-20H,8-17H2,(H,24,27)/t19-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells				J Med Chem 41: 760-71 (1998) Article DOI: 10.1021/jm9707378 BindingDB Entry DOI: 10.7270/Q20G3J97
					More data for this Ligand-Target Pair

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