Compile Data Set for Download or QSAR

Found 3328 hits with Last Name = 'fan' and Initial = 'l'   

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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50145021 (1-Cyclohexyl-4-[4-(1,2,3,4-tetrahydro-naphthalen-1...) Show SMILES C(CCN1CCN(CC1)C1CCCCC1)CC1CCCc2ccccc12 Show InChI InChI=1S/C24H38N2/c1-2-13-23(14-3-1)26-19-17-25(18-20-26)16-7-6-10-22-12-8-11-21-9-4-5-15-24(21)22/h4-5,9,15,22-23H,1-3,6-8,10-14,16-20H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes				Bioorg Med Chem 25: 4778-4799 (2017) Article DOI: 10.1016/j.bmc.2017.07.027 BindingDB Entry DOI: 10.7270/Q26M3984
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description The binding affinity was measured on 5-hydroxytryptamine 2 receptor in rat brain tissue				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					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	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50260587 (CHEMBL4062642) Show SMILES C[C@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r| Show InChI InChI=1S/C20H32N2/c1-18-15-21(16-19-9-4-2-5-10-19)13-8-14-22(18)17-20-11-6-3-7-12-20/h3,6-7,11-12,18-19H,2,4-5,8-10,13-17H2,1H3/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting				Bioorg Med Chem 25: 4778-4799 (2017) Article DOI: 10.1016/j.bmc.2017.07.027 BindingDB Entry DOI: 10.7270/Q26M3984
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [3H]ketanserin radioligand in rat cerebral cort...				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50443101 (Cariprazine | RGH-188) Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SCH23390 from D3 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation c...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50443101 (Cariprazine | RGH-188) Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SCH23390 from D3 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation c...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine				Bioorg Med Chem 25: 4778-4799 (2017) Article DOI: 10.1016/j.bmc.2017.07.027 BindingDB Entry DOI: 10.7270/Q26M3984
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50260585 (CHEMBL4063826) Show SMILES CCCCN1CCCN(Cc2ccccc2)[C@H](C)C1 |r| Show InChI InChI=1S/C17H28N2/c1-3-4-11-18-12-8-13-19(16(2)14-18)15-17-9-6-5-7-10-17/h5-7,9-10,16H,3-4,8,11-15H2,1-2H3/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting				Bioorg Med Chem 25: 4778-4799 (2017) Article DOI: 10.1016/j.bmc.2017.07.027 BindingDB Entry DOI: 10.7270/Q26M3984
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50260591 (CHEMBL4084334) Show SMILES C[C@@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r| Show InChI InChI=1S/C20H32N2/c1-18-15-21(16-19-9-4-2-5-10-19)13-8-14-22(18)17-20-11-6-3-7-12-20/h3,6-7,11-12,18-19H,2,4-5,8-10,13-17H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting				Bioorg Med Chem 25: 4778-4799 (2017) Article DOI: 10.1016/j.bmc.2017.07.027 BindingDB Entry DOI: 10.7270/Q26M3984
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001876 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1 Show InChI InChI=1S/C26H38N4O2/c1-21(2)32-25-10-7-6-9-24(25)29-17-15-28(16-18-29)19-22-12-13-23(27(22)3)20-30-14-8-4-5-11-26(30)31/h6-7,9-10,12-13,21H,4-5,8,11,14-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM194780 (7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...) Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1 Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem	DrugBank Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50260586 (CHEMBL4065105) Show SMILES COc1ccc(CN2CCCN(Cc3ccccc3)[C@H](C)C2)cc1 |r| Show InChI InChI=1S/C21H28N2O/c1-18-15-22(16-20-9-11-21(24-2)12-10-20)13-6-14-23(18)17-19-7-4-3-5-8-19/h3-5,7-12,18H,6,13-17H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting				Bioorg Med Chem 25: 4778-4799 (2017) Article DOI: 10.1016/j.bmc.2017.07.027 BindingDB Entry DOI: 10.7270/Q26M3984
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM194780 (7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...) Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1 Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem	DrugBank Article PubMed	0.513	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50044714 (1-Butyl-4-[2-(3,4-dichloro-phenyl)-ethyl]-piperazi...) Show SMILES CCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C16H24Cl2N2/c1-2-3-7-19-9-11-20(12-10-19)8-6-14-4-5-15(17)16(18)13-14/h4-5,13H,2-3,6-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting				Bioorg Med Chem 25: 4778-4799 (2017) Article DOI: 10.1016/j.bmc.2017.07.027 BindingDB Entry DOI: 10.7270/Q26M3984
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50260594 (CHEMBL4090896) Show SMILES CCCCN1CCCN(Cc2ccccc2)[C@@H](C)C1 |r| Show InChI InChI=1S/C17H28N2/c1-3-4-11-18-12-8-13-19(16(2)14-18)15-17-9-6-5-7-10-17/h5-7,9-10,16H,3-4,8,11-15H2,1-2H3/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting				Bioorg Med Chem 25: 4778-4799 (2017) Article DOI: 10.1016/j.bmc.2017.07.027 BindingDB Entry DOI: 10.7270/Q26M3984
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001855 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1 Show InChI InChI=1S/C27H40N4O2/c1-22(2)33-26-11-8-7-10-25(26)30-18-16-29(17-19-30)20-23-13-14-24(28(23)3)21-31-15-9-5-4-6-12-27(31)32/h7-8,10-11,13-14,22H,4-6,9,12,15-21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					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	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity determined in radioreceptor binding assay by using [3H]ketanserin radioligand against 5-hydroxytryptamine 2 receptor				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC5 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50153255 (2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-N-m-tolyl-...) Show SMILES COc1ccccc1N1CCN(CC(=O)Nc2cccc(C)c2)CC1 Show InChI InChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)21-20(24)15-22-10-12-23(13-11-22)18-8-3-4-9-19(18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-spiperone binding to human Dopamine receptor D4.4 allele				Bioorg Med Chem Lett 14: 5095-8 (2004) Article DOI: 10.1016/j.bmcl.2004.07.068 BindingDB Entry DOI: 10.7270/Q23X863Q
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC6 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50260583 (CHEMBL4094304) Show SMILES C[C@H]1CN(CCCCc2ccccc2)CCCN1Cc1ccccc1 |r| Show InChI InChI=1S/C23H32N2/c1-21-19-24(16-9-8-13-22-11-4-2-5-12-22)17-10-18-25(21)20-23-14-6-3-7-15-23/h2-7,11-12,14-15,21H,8-10,13,16-20H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting				Bioorg Med Chem 25: 4778-4799 (2017) Article DOI: 10.1016/j.bmc.2017.07.027 BindingDB Entry DOI: 10.7270/Q26M3984
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001869 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1 Show InChI InChI=1S/C25H36N4O2/c1-20(2)31-24-9-5-4-8-23(24)28-16-14-27(15-17-28)18-21-11-12-22(26(21)3)19-29-13-7-6-10-25(29)30/h4-5,8-9,11-12,20H,6-7,10,13-19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50260584 (CHEMBL4073697) Show SMILES C[C@@H]1CN(CCCCc2ccccc2)CCCN1Cc1ccccc1 |r| Show InChI InChI=1S/C23H32N2/c1-21-19-24(16-9-8-13-22-11-4-2-5-12-22)17-10-18-25(21)20-23-14-6-3-7-15-23/h2-7,11-12,14-15,21H,8-10,13,16-20H2,1H3/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting				Bioorg Med Chem 25: 4778-4799 (2017) Article DOI: 10.1016/j.bmc.2017.07.027 BindingDB Entry DOI: 10.7270/Q26M3984
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50260582 (CHEMBL4086541) Show SMILES COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](C)C2)cc1 |r| Show InChI InChI=1S/C21H28N2O/c1-18-15-22(16-20-9-11-21(24-2)12-10-20)13-6-14-23(18)17-19-7-4-3-5-8-19/h3-5,7-12,18H,6,13-17H2,1-2H3/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting				Bioorg Med Chem 25: 4778-4799 (2017) Article DOI: 10.1016/j.bmc.2017.07.027 BindingDB Entry DOI: 10.7270/Q26M3984
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001889 (1-{5-[4-(2-sec-Butoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1 Show InChI InChI=1S/C26H38N4O2/c1-4-21(2)32-25-10-6-5-9-24(25)29-17-15-28(16-18-29)19-22-12-13-23(27(22)3)20-30-14-8-7-11-26(30)31/h5-6,9-10,12-13,21H,4,7-8,11,14-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50260588 (CHEMBL4100774) Show SMILES COc1ccc(CN2CCCN(CC3CCCCC3)C[C@@H]2C)cc1 |r| Show InChI InChI=1S/C21H34N2O/c1-18-15-22(16-19-7-4-3-5-8-19)13-6-14-23(18)17-20-9-11-21(24-2)12-10-20/h9-12,18-19H,3-8,13-17H2,1-2H3/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting				Bioorg Med Chem 25: 4778-4799 (2017) Article DOI: 10.1016/j.bmc.2017.07.027 BindingDB Entry DOI: 10.7270/Q26M3984
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC9 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					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	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-spiperone binding to human Dopamine receptor D4.4				Bioorg Med Chem Lett 14: 5095-8 (2004) Article DOI: 10.1016/j.bmcl.2004.07.068 BindingDB Entry DOI: 10.7270/Q23X863Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001858 (1-{5-[4-(2-Isopropyl-phenyl)-piperazin-1-ylmethyl]...) Show SMILES CC(C)c1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1 Show InChI InChI=1S/C25H36N4O/c1-20(2)23-8-4-5-9-24(23)28-16-14-27(15-17-28)18-21-11-12-22(26(21)3)19-29-13-7-6-10-25(29)30/h4-5,8-9,11-12,20H,6-7,10,13-19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50443101 (Cariprazine | RGH-188) Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50443101 (Cariprazine | RGH-188) Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001861 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)[nH]2)CC1 Show InChI InChI=1S/C24H34N4O2/c1-19(2)30-23-8-4-3-7-22(23)27-15-13-26(14-16-27)17-20-10-11-21(25-20)18-28-12-6-5-9-24(28)29/h3-4,7-8,10-11,19,25H,5-6,9,12-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50409510 (CHEMBL308480) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50001855 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1 Show InChI InChI=1S/C27H40N4O2/c1-22(2)33-26-11-8-7-10-25(26)30-18-16-29(17-19-30)20-23-13-14-24(28(23)3)21-31-15-9-5-4-6-12-27(31)32/h7-8,10-11,13-14,22H,4-6,9,12,15-21H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-4101 from rat hippocampus				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					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 UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity determined in radioreceptor binding assay by using [3H]ketanserin radioligand against 5-hydroxytryptamine 2 receptor				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50153255 (2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-N-m-tolyl-...) Show SMILES COc1ccccc1N1CCN(CC(=O)Nc2cccc(C)c2)CC1 Show InChI InChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)21-20(24)15-22-10-12-23(13-11-22)18-8-3-4-9-19(18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4				Bioorg Med Chem Lett 14: 5095-8 (2004) Article DOI: 10.1016/j.bmcl.2004.07.068 BindingDB Entry DOI: 10.7270/Q23X863Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50001889 (1-{5-[4-(2-sec-Butoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1 Show InChI InChI=1S/C26H38N4O2/c1-4-21(2)32-25-10-6-5-9-24(25)29-17-15-28(16-18-29)19-22-12-13-23(27(22)3)20-30-14-8-7-11-26(30)31/h5-6,9-10,12-13,21H,4,7-8,11,14-20H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-4101 from rat hippocampus				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					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	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4				Bioorg Med Chem Lett 14: 5095-8 (2004) Article DOI: 10.1016/j.bmcl.2004.07.068 BindingDB Entry DOI: 10.7270/Q23X863Q
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC2 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM86032 (trans-H2-PAT(-) | trans-PAT) Show SMILES CN(C)[C@H]1C[C@H](c2ccccc2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor expressed in HEK293 cells				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50065035 (CHEMBL3402657) Show SMILES Cl.CN(C)[C@@H]1C[C@@H](C2CCCCC2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor expressed in HEK293 cells				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50065036 (CHEMBL3402656) Show SMILES Cl.CN(C)[C@H]1C[C@H](C2CCCCC2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor expressed in HEK293 cells				Bioorg Med Chem 23: 1588-600 (2015) Article DOI: 10.1016/j.bmc.2015.01.060 BindingDB Entry DOI: 10.7270/Q2TF0010
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50130293 (7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50130293 (7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scinti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM79181 (10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...) Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC3 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	BDBM50007406 (1-(3-(trifluoromethyl)phenyl)piperazine | 1-(3-Tri...) Show SMILES FC(F)(F)c1cccc(c1)N1CCNCC1 Show InChI InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McNeil Pharmaceutical and Janssen Research Foundation Worldwide Curated by ChEMBL					Assay Description Binding affinity of the compound in radioreceptor binding assay by using [3H]-5-HT radioligand against 5-hydroxytryptamine 1B receptor				J Med Chem 32: 1052-6 (1989) BindingDB Entry DOI: 10.7270/Q2HD7TNH
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC7 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair

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