Compile Data Set for Download or QSAR

Found 1029 hits with Last Name = 'li' and Initial = 'jf'   

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
Small conductance calcium-activated potassium channel protein 1/2/3 (Rattus norvegicus-RAT-Rattus norvegicus (Rat))	BDBM50260153 (Apamin | CHEMBL525408 | Octadecapeptide venom) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)O |r,wU:83.102,47.101,13.138,4.3,33.34,88.89,78.79,67.68,107.109,116.118,125.127,wD:26.30,52.106,56.57,17.17,135.140,8.8,38.39,93.94,(27.83,-36.7,;27.83,-35.16,;26.49,-34.38,;29.15,-34.38,;29.15,-32.85,;30.49,-32.08,;31.8,-32.85,;31.8,-34.38,;33.14,-32.08,;33.14,-30.53,;34.47,-32.85,;35.8,-32.08,;35.8,-30.53,;40.01,-33.02,;41.6,-32.04,;43.23,-32.89,;43.23,-34.42,;44.54,-32.11,;44.54,-30.57,;45.89,-29.8,;45.89,-28.26,;44.54,-27.49,;47.21,-27.49,;45.89,-32.89,;48.48,-32.23,;48.91,-30.87,;50.38,-34.89,;52.13,-34.44,;53.01,-35.96,;51.84,-36.95,;50.38,-36.43,;48.34,-38.91,;48.77,-40.45,;46.11,-38.58,;46.11,-37.03,;44.16,-39.41,;42.33,-38.62,;42.33,-37.09,;40.7,-39.47,;40.7,-40.99,;39.37,-41.76,;39.37,-43.3,;38.05,-44.06,;38.05,-45.59,;38.29,-38.35,;35.39,-39.38,;35.39,-40.91,;34.06,-38.61,;40.93,-30.71,;40.94,-27.32,;39.36,-26.12,;39.37,-23.14,;38.05,-22.37,;36.72,-23.15,;35.39,-22.38,;35.4,-20.84,;34.06,-23.15,;34.06,-24.68,;32.73,-25.46,;32.73,-26.98,;31.4,-27.31,;30.08,-26.97,;28.36,-27.74,;30.08,-25.44,;32.73,-22.39,;31.4,-23.16,;31.41,-24.7,;28.69,-22.34,;28.69,-20.8,;30.02,-20.04,;30.02,-18.5,;31.34,-17.73,;31.34,-16.2,;32.68,-15.42,;30.02,-15.42,;26.07,-23.55,;26.08,-25.1,;27.41,-25.88,;23.8,-26.94,;22.48,-26.19,;23.83,-29.77,;25.16,-30.53,;26.5,-29.77,;25.16,-32.08,;23.84,-32.85,;23.84,-34.38,;24.76,-36.3,;26.09,-37.07,;26.09,-38.61,;24.77,-39.38,;27.42,-39.38,;27.42,-40.91,;28.75,-38.61,;30.09,-39.38,;30.09,-40.91,;31.42,-41.68,;31.42,-43.23,;32.75,-40.91,;31.41,-38.61,;31.41,-37.07,;32.73,-39.38,;26.5,-32.85,;27.83,-32.08,;27.83,-30.53,;38.04,-20.83,;36.7,-20.07,;39.36,-20.06,;39.36,-18.52,;38.03,-17.74,;38.03,-16.21,;36.71,-15.43,;36.71,-13.9,;35.38,-16.21,;40.7,-17.74,;40.69,-16.21,;42.03,-18.52,;43.37,-17.74,;43.37,-16.2,;44.7,-15.42,;44.7,-13.89,;46.03,-13.1,;43.36,-13.12,;44.71,-18.51,;44.7,-20.05,;46.04,-17.73,;47.37,-18.52,;48.68,-17.74,;50.05,-18.53,;50.21,-20.07,;51.72,-20.4,;52.48,-19.07,;51.47,-17.91,;47.36,-20.05,;48.68,-20.83,;46.03,-20.83,;40.01,-34.57,;38.67,-35.33,;41.74,-35.33,)| Show InChI InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [125I]apamin from Wistar rat cortical apamin-sensitive site				J Med Chem 49: 7208-14 (2006) Article DOI: 10.1021/jm0607395 BindingDB Entry DOI: 10.7270/Q2S75K20
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM86708 (CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5-HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 4550-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.119 BindingDB Entry DOI: 10.7270/Q2HH6M6V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50395206 (CHEMBL2164354) Show SMILES O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15| Show InChI InChI=1S/C25H31N3O/c29-25(23-11-5-2-6-12-23)28(24-13-7-8-16-26-24)20-19-27-17-14-22(15-18-27)21-9-3-1-4-10-21/h1,3-4,7-10,13-14,16,23H,2,5-6,11-12,15,17-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5-HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 4550-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.119 BindingDB Entry DOI: 10.7270/Q2HH6M6V
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50040237 (2-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Sc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity against rat 5-hydroxytryptamine 2 receptor.				J Med Chem 36: 2107-14 (1993) BindingDB Entry DOI: 10.7270/Q22B8X37
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50395206 (CHEMBL2164354) Show SMILES O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15| Show InChI InChI=1S/C25H31N3O/c29-25(23-11-5-2-6-12-23)28(24-13-7-8-16-26-24)20-19-27-17-14-22(15-18-27)21-9-3-1-4-10-21/h1,3-4,7-10,13-14,16,23H,2,5-6,11-12,15,17-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Binding affinity to 5HT1A receptor by radioligand binding assay				Bioorg Med Chem Lett 22: 4550-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.119 BindingDB Entry DOI: 10.7270/Q2HH6M6V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Binding affinity against dopamine D2 receptor				J Med Chem 37: 519-25 (1994) BindingDB Entry DOI: 10.7270/Q2HX1DWK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine D2 receptor in rat striatal tissue.				J Med Chem 36: 2107-14 (1993) BindingDB Entry DOI: 10.7270/Q22B8X37
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50010507 (CHEMBL3264374) Show SMILES Cc1cc(C)cc(c1)C1=CCN(CCNC(=O)c2cnc3ccccc3n2)CC1 |t:9| Show InChI InChI=1S/C24H26N4O/c1-17-13-18(2)15-20(14-17)19-7-10-28(11-8-19)12-9-25-24(29)23-16-26-21-5-3-4-6-22(21)27-23/h3-7,13-16H,8-12H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-OPAT from human recombinant 5HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis				ACS Med Chem Lett 5: 358-62 (2014) Article DOI: 10.1021/ml4004843 BindingDB Entry DOI: 10.7270/Q2QZ2CHT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50395207 (CHEMBL2164350) Show SMILES O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1 Show InChI InChI=1S/C24H32N4O/c29-24(21-9-3-1-4-10-21)28(23-13-7-8-14-25-23)20-17-26-15-18-27(19-16-26)22-11-5-2-6-12-22/h2,5-8,11-14,21H,1,3-4,9-10,15-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5-HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 4550-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.119 BindingDB Entry DOI: 10.7270/Q2HH6M6V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50395216 (CHEMBL2164347) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc3ccccc3c2)c2ccccn2)CC1 Show InChI InChI=1S/C29H30N4O2/c1-35-27-11-5-4-10-26(27)32-19-16-31(17-20-32)18-21-33(28-12-6-7-15-30-28)29(34)25-14-13-23-8-2-3-9-24(23)22-25/h2-15,22H,16-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5-HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 4550-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.119 BindingDB Entry DOI: 10.7270/Q2HH6M6V
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50324887 (CHEMBL1221498 | N-(2-(4-(2-methoxyphenyl)piperazin...) Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C24H27N3O2/c1-29-23-9-5-4-8-22(23)27-16-14-26(15-17-27)13-12-25-24(28)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18H,12-17H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from human alpha2A receptor after 60 mins				Bioorg Med Chem Lett 20: 5199-202 (2010) Article DOI: 10.1016/j.bmcl.2010.07.002 BindingDB Entry DOI: 10.7270/Q2445MPJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM22870 (13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...) Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 |t:13| Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				J Med Chem 55: 1572-82 (2012) Article DOI: 10.1021/jm2013419 BindingDB Entry DOI: 10.7270/Q2R49RT3
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50010594 (2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity against rat 5-hydroxytryptamine 2 receptor.				J Med Chem 36: 2107-14 (1993) BindingDB Entry DOI: 10.7270/Q22B8X37
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50395207 (CHEMBL2164350) Show SMILES O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1 Show InChI InChI=1S/C24H32N4O/c29-24(21-9-3-1-4-10-21)28(23-13-7-8-14-25-23)20-17-26-15-18-27(19-16-26)22-11-5-2-6-12-22/h2,5-8,11-14,21H,1,3-4,9-10,15-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Binding affinity to 5HT1A receptor by radioligand binding assay				Bioorg Med Chem Lett 22: 4550-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.119 BindingDB Entry DOI: 10.7270/Q2HH6M6V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50395215 (CHEMBL2164348) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2cccc3ccccc23)c2ccccn2)CC1 Show InChI InChI=1S/C29H30N4O2/c1-35-27-14-5-4-13-26(27)32-20-17-31(18-21-32)19-22-33(28-15-6-7-16-30-28)29(34)25-12-8-10-23-9-2-3-11-24(23)25/h2-16H,17-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5-HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 4550-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.119 BindingDB Entry DOI: 10.7270/Q2HH6M6V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine D2 receptor in rat striatal tissue.				J Med Chem 36: 2107-14 (1993) BindingDB Entry DOI: 10.7270/Q22B8X37
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Binding affinity against dopamine D2 receptor				J Med Chem 37: 519-25 (1994) BindingDB Entry DOI: 10.7270/Q2HX1DWK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50403770 (CHEMBL12427) Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccc1)c23 Show InChI InChI=1S/C25H31N3O/c29-24-25(14-7-9-20-8-6-12-22(26-24)23(20)25)13-4-5-15-27-16-18-28(19-17-27)21-10-2-1-3-11-21/h1-3,6,8,10-12H,4-5,7,9,13-19H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Binding affinity to 5HT7 receptor				Bioorg Med Chem Lett 20: 1118-23 (2010) Article DOI: 10.1016/j.bmcl.2009.12.027 BindingDB Entry DOI: 10.7270/Q2TH8MTG
					More data for this Ligand-Target Pair
D(4) 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	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes				J Med Chem 45: 5136-49 (2002) BindingDB Entry DOI: 10.7270/Q2571BC1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50324887 (CHEMBL1221498 | N-(2-(4-(2-methoxyphenyl)piperazin...) Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C24H27N3O2/c1-29-23-9-5-4-8-22(23)27-16-14-26(15-17-27)13-12-25-24(28)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18H,12-17H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description Displacement of [3H]8OH-DPAT from human 5HT1A receptor after 60 mins				Bioorg Med Chem Lett 20: 5199-202 (2010) Article DOI: 10.1016/j.bmcl.2010.07.002 BindingDB Entry DOI: 10.7270/Q2445MPJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM22871 (13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				J Med Chem 55: 1572-82 (2012) Article DOI: 10.1021/jm2013419 BindingDB Entry DOI: 10.7270/Q2R49RT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50395214 (CHEMBL2164349) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2cnc3ccccc3n2)c2ccccn2)CC1 Show InChI InChI=1S/C27H28N6O2/c1-35-25-11-5-4-10-24(25)32-17-14-31(15-18-32)16-19-33(26-12-6-7-13-28-26)27(34)23-20-29-21-8-2-3-9-22(21)30-23/h2-13,20H,14-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5-HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 4550-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.119 BindingDB Entry DOI: 10.7270/Q2HH6M6V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50010505 (CHEMBL3264372) Show SMILES Fc1cc(F)cc(c1)C1=CCN(CCNC(=O)c2cnc3ccccc3n2)CC1 |t:9| Show InChI InChI=1S/C22H20F2N4O/c23-17-11-16(12-18(24)13-17)15-5-8-28(9-6-15)10-7-25-22(29)21-14-26-19-3-1-2-4-20(19)27-21/h1-5,11-14H,6-10H2,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-OPAT from human recombinant 5HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis				ACS Med Chem Lett 5: 358-62 (2014) Article DOI: 10.1021/ml4004843 BindingDB Entry DOI: 10.7270/Q2QZ2CHT
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50119380 (CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from human alpha2A receptor after 60 mins				Bioorg Med Chem Lett 20: 5199-202 (2010) Article DOI: 10.1016/j.bmcl.2010.07.002 BindingDB Entry DOI: 10.7270/Q2445MPJ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50324894 (CHEMBL1221594 | N-(6-(4-(2-methoxyphenyl)piperazin...) Show SMILES COc1ccccc1N1CCN(CCCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C27H35N3O3S/c1-33-27-13-7-6-12-26(27)30-20-18-29(19-21-30)17-9-3-2-8-16-28-34(31,32)25-15-14-23-10-4-5-11-24(23)22-25/h4-7,10-15,22,28H,2-3,8-9,16-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from human alpha2A receptor after 60 mins				Bioorg Med Chem Lett 20: 5199-202 (2010) Article DOI: 10.1016/j.bmcl.2010.07.002 BindingDB Entry DOI: 10.7270/Q2445MPJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50116963 (2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)...) Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20| Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Binding affinity to 5HT7 receptor				Bioorg Med Chem Lett 20: 1118-23 (2010) Article DOI: 10.1016/j.bmcl.2009.12.027 BindingDB Entry DOI: 10.7270/Q2TH8MTG
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity against rat 5-hydroxytryptamine 2 receptor.				J Med Chem 36: 2107-14 (1993) BindingDB Entry DOI: 10.7270/Q22B8X37
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50010506 (CHEMBL3264373) Show SMILES Cc1cc(C)cc(c1)N1CCN(CCNC(=O)c2cnc3ccccc3n2)CC1 Show InChI InChI=1S/C23H27N5O/c1-17-13-18(2)15-19(14-17)28-11-9-27(10-12-28)8-7-24-23(29)22-16-25-20-5-3-4-6-21(20)26-22/h3-6,13-16H,7-12H2,1-2H3,(H,24,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-OPAT from human recombinant 5HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis				ACS Med Chem Lett 5: 358-62 (2014) Article DOI: 10.1021/ml4004843 BindingDB Entry DOI: 10.7270/Q2QZ2CHT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50010503 (CHEMBL3264364) Show SMILES O=C(NCCN1CCC(=CC1)c1ccccc1)c1cnc2ccccc2n1 |c:8| Show InChI InChI=1S/C22H22N4O/c27-22(21-16-24-19-8-4-5-9-20(19)25-21)23-12-15-26-13-10-18(11-14-26)17-6-2-1-3-7-17/h1-10,16H,11-15H2,(H,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-OPAT from human recombinant 5HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis				ACS Med Chem Lett 5: 358-62 (2014) Article DOI: 10.1021/ml4004843 BindingDB Entry DOI: 10.7270/Q2QZ2CHT
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50040241 (3-Fluoro-6-(4-methyl-piperazin-1-yl)-11H-dibenzo[b...) Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity against rat 5-hydroxytryptamine 2 receptor.				J Med Chem 36: 2107-14 (1993) BindingDB Entry DOI: 10.7270/Q22B8X37
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity against rat 5-hydroxytryptamine 2 receptor.				J Med Chem 36: 2107-14 (1993) BindingDB Entry DOI: 10.7270/Q22B8X37
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50324890 (CHEMBL1221545 | N-(4-(4-(2-methoxyphenyl)piperazin...) Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C25H31N3O3S/c1-31-25-11-5-4-10-24(25)28-18-16-27(17-19-28)15-7-6-14-26-32(29,30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20,26H,6-7,14-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from human alpha2A receptor after 60 mins				Bioorg Med Chem Lett 20: 5199-202 (2010) Article DOI: 10.1016/j.bmcl.2010.07.002 BindingDB Entry DOI: 10.7270/Q2445MPJ
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50040243 (8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity against rat 5-hydroxytryptamine 2 receptor.				J Med Chem 36: 2107-14 (1993) BindingDB Entry DOI: 10.7270/Q22B8X37
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50040237 (2-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Sc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity against Dopamine D2 receptor in rat striatal tissue.				J Med Chem 36: 2107-14 (1993) BindingDB Entry DOI: 10.7270/Q22B8X37
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50040237 (2-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Sc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Binding affinity against dopamine D2 receptor				J Med Chem 37: 519-25 (1994) BindingDB Entry DOI: 10.7270/Q2HX1DWK
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50324889 (CHEMBL1221544 | N-(3-(4-(2-methoxyphenyl)piperazin...) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C25H29N3O2/c1-30-24-10-5-4-9-23(24)28-17-15-27(16-18-28)14-6-13-26-25(29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19H,6,13-18H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from human alpha2A receptor after 60 mins				Bioorg Med Chem Lett 20: 5199-202 (2010) Article DOI: 10.1016/j.bmcl.2010.07.002 BindingDB Entry DOI: 10.7270/Q2445MPJ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50261126 (CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...) Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from human alpha2A receptor after 60 mins				Bioorg Med Chem Lett 20: 5199-202 (2010) Article DOI: 10.1016/j.bmcl.2010.07.002 BindingDB Entry DOI: 10.7270/Q2445MPJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				J Med Chem 55: 1572-82 (2012) Article DOI: 10.1021/jm2013419 BindingDB Entry DOI: 10.7270/Q2R49RT3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50324888 (CHEMBL1221499 | N-(2-(4-(2-methoxyphenyl)piperazin...) Show SMILES COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C23H27N3O3S/c1-29-23-9-5-4-8-22(23)26-16-14-25(15-17-26)13-12-24-30(27,28)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18,24H,12-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from human alpha2A receptor after 60 mins				Bioorg Med Chem Lett 20: 5199-202 (2010) Article DOI: 10.1016/j.bmcl.2010.07.002 BindingDB Entry DOI: 10.7270/Q2445MPJ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50040243 (8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Sc2ccccc12 |t:8| Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity against Muscarinic acetylcholine receptors in rat brain.				J Med Chem 36: 2107-14 (1993) BindingDB Entry DOI: 10.7270/Q22B8X37
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50010515 (CHEMBL3264376) Show SMILES O=C(NCCN1CCC(=CC1)c1ccccc1)c1ccc2ccccc2c1 |c:8| Show InChI InChI=1S/C24H24N2O/c27-24(23-11-10-20-8-4-5-9-22(20)18-23)25-14-17-26-15-12-21(13-16-26)19-6-2-1-3-7-19/h1-12,18H,13-17H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-OPAT from human recombinant 5HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis				ACS Med Chem Lett 5: 358-62 (2014) Article DOI: 10.1021/ml4004843 BindingDB Entry DOI: 10.7270/Q2QZ2CHT
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50324893 (CHEMBL1221593 | N-(6-(4-(2-methoxyphenyl)piperazin...) Show SMILES COc1ccccc1N1CCN(CCCCCCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C28H35N3O2/c1-33-27-13-7-6-12-26(27)31-20-18-30(19-21-31)17-9-3-2-8-16-29-28(32)25-15-14-23-10-4-5-11-24(23)22-25/h4-7,10-15,22H,2-3,8-9,16-21H2,1H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from human alpha2A receptor after 60 mins				Bioorg Med Chem Lett 20: 5199-202 (2010) Article DOI: 10.1016/j.bmcl.2010.07.002 BindingDB Entry DOI: 10.7270/Q2445MPJ
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50040250 (8-Chloro-6-(4-methyl-piperazin-1-yl)-11H-benzo[e]p...) Show SMILES CN1CCN(CC1)C1=Nc2cccnc2Nc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C17H18ClN5/c1-22-7-9-23(10-8-22)17-13-11-12(18)4-5-14(13)20-16-15(21-17)3-2-6-19-16/h2-6,11H,7-10H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity against rat 5-hydroxytryptamine 2 receptor.				J Med Chem 36: 2107-14 (1993) BindingDB Entry DOI: 10.7270/Q22B8X37
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity at serotonin 5-hydroxytryptamine 2A receptor in rat cortical membrane				J Med Chem 45: 5136-49 (2002) BindingDB Entry DOI: 10.7270/Q2571BC1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50010523 (CHEMBL3264384) Show SMILES Fc1cc(F)cc(c1)C1=CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 |t:9| Show InChI InChI=1S/C24H22F2N2O/c25-22-14-21(15-23(26)16-22)18-7-10-28(11-8-18)12-9-27-24(29)20-6-5-17-3-1-2-4-19(17)13-20/h1-7,13-16H,8-12H2,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-OPAT from human recombinant 5HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis				ACS Med Chem Lett 5: 358-62 (2014) Article DOI: 10.1021/ml4004843 BindingDB Entry DOI: 10.7270/Q2QZ2CHT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50010513 (CHEMBL3264370) Show SMILES Cc1ccc(cc1)C1=CCN(CCNC(=O)c2cnc3ccccc3n2)CC1 |t:8| Show InChI InChI=1S/C23H24N4O/c1-17-6-8-18(9-7-17)19-10-13-27(14-11-19)15-12-24-23(28)22-16-25-20-4-2-3-5-21(20)26-22/h2-10,16H,11-15H2,1H3,(H,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-OPAT from human recombinant 5HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis				ACS Med Chem Lett 5: 358-62 (2014) Article DOI: 10.1021/ml4004843 BindingDB Entry DOI: 10.7270/Q2QZ2CHT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50010525 (CHEMBL3264386) Show SMILES Cc1cc(C)cc(c1)C1=CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 |t:9| Show InChI InChI=1S/C26H28N2O/c1-19-15-20(2)17-25(16-19)22-9-12-28(13-10-22)14-11-27-26(29)24-8-7-21-5-3-4-6-23(21)18-24/h3-9,15-18H,10-14H2,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-OPAT from human recombinant 5HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis				ACS Med Chem Lett 5: 358-62 (2014) Article DOI: 10.1021/ml4004843 BindingDB Entry DOI: 10.7270/Q2QZ2CHT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50395208 (CHEMBL2164346) Show SMILES O=C(N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1)c1cnc2ccccc2n1 |c:8| Show InChI InChI=1S/C27H25N5O/c33-27(25-20-29-23-10-4-5-11-24(23)30-25)32(26-12-6-7-15-28-26)19-18-31-16-13-22(14-17-31)21-8-2-1-3-9-21/h1-13,15,20H,14,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5-HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 4550-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.119 BindingDB Entry DOI: 10.7270/Q2HH6M6V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50395210 (CHEMBL2164355) Show SMILES O=C(N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1)c1ccc2ccccc2c1 |c:8| Show InChI InChI=1S/C29H27N3O/c33-29(27-14-13-24-10-4-5-11-26(24)22-27)32(28-12-6-7-17-30-28)21-20-31-18-15-25(16-19-31)23-8-2-1-3-9-23/h1-15,17,22H,16,18-21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5-HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 22: 4550-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.119 BindingDB Entry DOI: 10.7270/Q2HH6M6V
					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	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity at human cloned Dopamine receptor D2L expressed in Sf9 cell membranes				J Med Chem 45: 5136-49 (2002) BindingDB Entry DOI: 10.7270/Q2571BC1
					More data for this Ligand-Target Pair

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