Compile Data Set for Download or QSAR

Found 1284 hits with Last Name = 'suzuki' and Initial = 'k'   

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
Benzodiazepine receptors; peripheral & central (Rattus norvegicus (rat))	BDBM50122293 (CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...) Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description In vitro binding affinity for PBR (peripheral benzodiazepine receptor) in rat brain				Bioorg Med Chem Lett 13: 201-4 (2002) Article DOI: 10.1016/s0960-894x(02)00886-7 BindingDB Entry DOI: 10.7270/Q2PZ585X
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50185958 (CHEMBL205971 | N-(2-methoxybenzyl)-N-(4-chloro-2-p...) Show SMILES COc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C22H20ClNO3/c1-16(25)24(15-17-8-6-7-11-21(17)26-2)20-13-12-18(23)14-22(20)27-19-9-4-3-5-10-19/h3-14H,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50122294 (CHEMBL292092 | N-(5-fluoro-2-phenoxyphenyl)-N-(2-(...) Show SMILES COc1ccc(OCCF)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C24H23F2NO4/c1-17(28)27(16-18-14-21(29-2)9-11-23(18)30-13-12-25)22-15-19(26)8-10-24(22)31-20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description In vitro inhibition of [11C]2 binding to Peripheral benzodiazepine receptor (PBR) in rat brain				J Med Chem 47: 2228-35 (2004) Article DOI: 10.1021/jm0304919 BindingDB Entry DOI: 10.7270/Q20G3KXQ
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50122294 (CHEMBL292092 | N-(5-fluoro-2-phenoxyphenyl)-N-(2-(...) Show SMILES COc1ccc(OCCF)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C24H23F2NO4/c1-17(28)27(16-18-14-21(29-2)9-11-23(18)30-13-12-25)22-15-19(26)8-10-24(22)31-20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]DAA1106 from PBR receptor in rat brain membrane				Bioorg Med Chem Lett 19: 1707-10 (2009) Article DOI: 10.1016/j.bmcl.2009.01.093 BindingDB Entry DOI: 10.7270/Q2C82B6C
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50185959 (CHEMBL381602 | N-(2-ethoxybenzyl)-N-(4-chloro-2-ph...) Show SMILES CCOc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C23H22ClNO3/c1-3-27-22-12-8-7-9-18(22)16-25(17(2)26)21-14-13-19(24)15-23(21)28-20-10-5-4-6-11-20/h4-15H,3,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50122293 (CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...) Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50160807 (4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-5,...) Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1 Show InChI InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL DrugBank 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
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against recombinant human dopamine receptor D2L in human liver microsomes				Bioorg Med Chem Lett 15: 1055-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.028 BindingDB Entry DOI: 10.7270/Q2Z60NKV
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50122293 (CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...) Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description In vitro inhibition of [11C]2 binding to Peripheral benzodiazepine receptor (PBR) in rat brain				J Med Chem 47: 2228-35 (2004) Article DOI: 10.1021/jm0304919 BindingDB Entry DOI: 10.7270/Q20G3KXQ
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50122293 (CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...) Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]DAA1106 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50122295 (CHEMBL63065 | N-(2-Fluoromethoxy-5-methoxy-benzyl)...) Show SMILES COc1ccc(OCF)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C23H21F2NO4/c1-16(27)26(14-17-12-20(28-2)9-11-22(17)29-15-24)21-13-18(25)8-10-23(21)30-19-6-4-3-5-7-19/h3-13H,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description In vitro inhibition of [11C]2 binding to Peripheral benzodiazepine receptor (PBR) in rat brain				J Med Chem 47: 2228-35 (2004) Article DOI: 10.1021/jm0304919 BindingDB Entry DOI: 10.7270/Q20G3KXQ
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50122293 (CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...) Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description In vitro binding affinity for PBR (peripheral benzodiazepine receptor) in monkey brain				Bioorg Med Chem Lett 13: 201-4 (2002) Article DOI: 10.1016/s0960-894x(02)00886-7 BindingDB Entry DOI: 10.7270/Q2PZ585X
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50185957 (CHEMBL205767 | N-(2-isopropoxybenzyl)-N-(4-chloro-...) Show SMILES CC(C)Oc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50056419 (4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor				J Med Chem 46: 702-15 (2003) Article DOI: 10.1021/jm020270n BindingDB Entry DOI: 10.7270/Q25H7H06
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50266889 (CHEMBL513922 | N-benzyl-N-ethyl-2-(7-methyl-8-oxo-...) Show SMILES CCN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]PK11195 from PBR receptor in rat brain membrane				Bioorg Med Chem Lett 19: 1707-10 (2009) Article DOI: 10.1016/j.bmcl.2009.01.093 BindingDB Entry DOI: 10.7270/Q2C82B6C
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]PK11195 from PBR receptor in rat brain membrane				Bioorg Med Chem Lett 19: 1707-10 (2009) Article DOI: 10.1016/j.bmcl.2009.01.093 BindingDB Entry DOI: 10.7270/Q2C82B6C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50185958 (CHEMBL205971 | N-(2-methoxybenzyl)-N-(4-chloro-2-p...) Show SMILES COc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C22H20ClNO3/c1-16(25)24(15-17-8-6-7-11-21(17)26-2)20-13-12-18(23)14-22(20)27-19-9-4-3-5-10-19/h3-14H,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair
Nociceptin/mu opioid receptor (Rattus norvegicus (rat))	BDBM50016867 ((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...) Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C30H45N9O5/c31-15-5-4-9-23(26(33)41)37-29(44)25(18-19-7-2-1-3-8-19)39-28(43)24(10-6-16-36-30(34)35)38-27(42)22(32)17-20-11-13-21(40)14-12-20/h1-3,7-8,11-14,22-25,40H,4-6,9-10,15-18,31-32H2,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)/t22-,23-,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against mu-opioid receptor by using [3H]-DAGO as radioligand in rat brain				Bioorg Med Chem Lett 4: 2049-2054 (1994) Article DOI: 10.1016/S0960-894X(01)80561-8 BindingDB Entry DOI: 10.7270/Q2MK6CV3
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50185959 (CHEMBL381602 | N-(2-ethoxybenzyl)-N-(4-chloro-2-ph...) Show SMILES CCOc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C23H22ClNO3/c1-3-27-22-12-8-7-9-18(22)16-25(17(2)26)21-14-13-19(24)15-23(21)28-20-10-5-4-6-11-20/h4-15H,3,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50266861 (CHEMBL515622 | N-benzyl-N-ethyl-2-(7-(2-fluoroethy...) Show SMILES CCN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(CCF)c1=O)-c1ccccc1 Show InChI InChI=1S/C24H24FN5O2/c1-2-28(16-18-9-5-3-6-10-18)21(31)17-30-23-20(29(14-13-25)24(30)32)15-26-22(27-23)19-11-7-4-8-12-19/h3-12,15H,2,13-14,16-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]PK11195 from PBR receptor in rat brain membrane				Bioorg Med Chem Lett 19: 1707-10 (2009) Article DOI: 10.1016/j.bmcl.2009.01.093 BindingDB Entry DOI: 10.7270/Q2C82B6C
					More data for this Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50449636 (BRL-43694 | GRANISETRON | Kytril | LY-278584 | San...) Show SMILES CN1[C@H]2CCC[C@@H]1C[C@H](C2)NC(=O)c1nn(C)c2ccccc12 Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13-,14+	PDB UniProtKB/SwissProt GoogleScholar	Purchase KEGG 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
Pharmaceutical Research Center Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 3 receptor was determined by measuring displacement of [3H]GR-65630 from rat brain cortices				J Med Chem 41: 3015-21 (1998) Article DOI: 10.1021/jm9801004 BindingDB Entry DOI: 10.7270/Q20P10Q9
					More data for this Ligand-Target Pair
Nociceptin/mu opioid receptor (Rattus norvegicus (rat))	BDBM50283041 ((R)-2-{2-[2-Amino-4-(2-{(S)-guanidino-1-(S)-2-[(R)...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C52H71N15O9/c53-37(27-33-15-19-35(68)20-16-33)45(71)64-40(13-7-24-61-51(56)57)48(74)66-42(29-31-9-3-1-4-10-31)47(73)60-26-23-39(44(55)70)63-50(76)43(30-32-11-5-2-6-12-32)67-49(75)41(14-8-25-62-52(58)59)65-46(72)38(54)28-34-17-21-36(69)22-18-34/h1-6,9-12,15-22,37-43,68-69H,7-8,13-14,23-30,53-54H2,(H2,55,70)(H,60,73)(H,63,76)(H,64,71)(H,65,72)(H,66,74)(H,67,75)(H4,56,57,61)(H4,58,59,62)/t37-,38-,39-,40-,41-,42-,43-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against mu-opioid receptor by using [3H]-DAGO as radioligand in rat brain				Bioorg Med Chem Lett 4: 2049-2054 (1994) Article DOI: 10.1016/S0960-894X(01)80561-8 BindingDB Entry DOI: 10.7270/Q2MK6CV3
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50266863 (CHEMBL476811 | N-benzyl-N-(2-fluoroethyl)-2-(7-met...) Show SMILES Cn1c2cnc(nc2n(CC(=O)N(CCF)Cc2ccccc2)c1=O)-c1ccccc1 Show InChI InChI=1S/C23H22FN5O2/c1-27-19-14-25-21(18-10-6-3-7-11-18)26-22(19)29(23(27)31)16-20(30)28(13-12-24)15-17-8-4-2-5-9-17/h2-11,14H,12-13,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL 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
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]PK11195 from PBR receptor in rat brain membrane				Bioorg Med Chem Lett 19: 1707-10 (2009) Article DOI: 10.1016/j.bmcl.2009.01.093 BindingDB Entry DOI: 10.7270/Q2C82B6C
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50185957 (CHEMBL205767 | N-(2-isopropoxybenzyl)-N-(4-chloro-...) Show SMILES CC(C)Oc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]DAA1106 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM82519 (4-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicycl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCC(C1)N2C Show InChI InChI=1S/C16H22ClN3O2/c1-20-10-3-4-11(20)6-9(5-10)19-16(21)12-7-13(17)14(18)8-15(12)22-2/h7-11H,3-6,18H2,1-2H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor				J Med Chem 46: 702-15 (2003) Article DOI: 10.1021/jm020270n BindingDB Entry DOI: 10.7270/Q25H7H06
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50160807 (4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-5,...) Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1 Show InChI InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3	Reactome pathway KEGG DrugBank GoogleScholar	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description In vitro binding affinity against recombinant human 5-hydroxytryptamine 2A receptor in human liver microsomes				Bioorg Med Chem Lett 15: 1055-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.028 BindingDB Entry DOI: 10.7270/Q2Z60NKV
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]DAA1106 from Sprague-Dawley rat brain PBR				J Med Chem 49: 2735-42 (2006) Article DOI: 10.1021/jm060006k BindingDB Entry DOI: 10.7270/Q20K29CW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description In vitro inhibition of [11C]2 binding to Peripheral benzodiazepine receptor (PBR) in rat brain				J Med Chem 47: 2228-35 (2004) Article DOI: 10.1021/jm0304919 BindingDB Entry DOI: 10.7270/Q20G3KXQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50066000 (5-Chloro-7-methyl-2-(4-methyl-[1,4]diazepan-1-yl)-...) Show SMILES CN1CCCN(CC1)c1nc2cc(Cl)cc(C)c2o1 Show InChI InChI=1S/C14H18ClN3O/c1-10-8-11(15)9-12-13(10)19-14(16-12)18-5-3-4-17(2)6-7-18/h8-9H,3-7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Center Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 3 receptor was determined by measuring displacement of [3H]GR-65630 from rat brain cortices				J Med Chem 41: 3015-21 (1998) Article DOI: 10.1021/jm9801004 BindingDB Entry DOI: 10.7270/Q20P10Q9
					More data for this Ligand-Target Pair
Nociceptin/mu opioid receptor (Rattus norvegicus (rat))	BDBM50283037 (CHEMBL291609 | [(S)-5-((S)-2-{(R)-2-[(S)-2-Amino-3...) Show SMILES C[N+](C)(C)CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C33H51N9O5/c1-42(2,3)19-8-7-12-26(29(35)44)39-32(47)28(21-22-10-5-4-6-11-22)41-31(46)27(13-9-18-38-33(36)37)40-30(45)25(34)20-23-14-16-24(43)17-15-23/h4-6,10-11,14-17,25-28H,7-9,12-13,18-21,34H2,1-3H3,(H9-,35,36,37,38,39,40,41,43,44,45,46,47)/p+1/t25-,26-,27+,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against mu-opioid receptor by using [3H]-DAGO as radioligand in rat brain				Bioorg Med Chem Lett 4: 2049-2054 (1994) Article DOI: 10.1016/S0960-894X(01)80561-8 BindingDB Entry DOI: 10.7270/Q2MK6CV3
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50266862 (CHEMBL476607 | N-benzyl-2-(7-(2-fluoroethyl)-8-oxo...) Show SMILES CN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(CCF)c1=O)-c1ccccc1 Show InChI InChI=1S/C23H22FN5O2/c1-27(15-17-8-4-2-5-9-17)20(30)16-29-22-19(28(13-12-24)23(29)31)14-25-21(26-22)18-10-6-3-7-11-18/h2-11,14H,12-13,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]PK11195 from PBR receptor in rat brain membrane				Bioorg Med Chem Lett 19: 1707-10 (2009) Article DOI: 10.1016/j.bmcl.2009.01.093 BindingDB Entry DOI: 10.7270/Q2C82B6C
					More data for this Ligand-Target Pair
Nociceptin/mu opioid receptor (Rattus norvegicus (rat))	BDBM50283039 (CHEMBL424228 | [(S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3...) Show SMILES C[N+](C)(C)CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C32H49N9O5/c1-41(2,3)18-8-12-25(28(34)43)38-31(46)27(20-21-9-5-4-6-10-21)40-30(45)26(11-7-17-37-32(35)36)39-29(44)24(33)19-22-13-15-23(42)16-14-22/h4-6,9-10,13-16,24-27H,7-8,11-12,17-20,33H2,1-3H3,(H9-,34,35,36,37,38,39,40,42,43,44,45,46)/p+1/t24-,25-,26+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against mu-opioid receptor by using [3H]-DAGO as radioligand in rat brain				Bioorg Med Chem Lett 4: 2049-2054 (1994) Article DOI: 10.1016/S0960-894X(01)80561-8 BindingDB Entry DOI: 10.7270/Q2MK6CV3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50160808 (4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-5,...) Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCC[C@@H](O)CCc2n1 Show InChI InChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)23-16-21(17-6-8-18(24)9-7-17)20-5-3-4-19(28)10-11-22(20)25-23/h6-9,16,19,28H,2-5,10-15H2,1H3/t19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against recombinant human dopamine receptor D2L in human liver microsomes				Bioorg Med Chem Lett 15: 1055-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.028 BindingDB Entry DOI: 10.7270/Q2Z60NKV
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50144889 (CHEMBL72521 | N-(5-Fluoro-2-phenoxy-phenyl)-N-(2-i...) Show SMILES COc1ccc(OCI)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C23H21FINO4/c1-16(27)26(14-17-12-20(28-2)9-11-22(17)29-15-25)21-13-18(24)8-10-23(21)30-19-6-4-3-5-7-19/h3-13H,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description In vitro inhibition of [11C]2 binding to Peripheral benzodiazepine receptor (PBR) in rat brain				J Med Chem 47: 2228-35 (2004) Article DOI: 10.1021/jm0304919 BindingDB Entry DOI: 10.7270/Q20G3KXQ
					More data for this Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50280258 (4-Amino-N-(S)-1-aza-bicyclo[3.3.1]non-4-yl-5-chlor...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2CCCC1C2 Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10?,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor				J Med Chem 46: 702-15 (2003) Article DOI: 10.1021/jm020270n BindingDB Entry DOI: 10.7270/Q25H7H06
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50160809 ((R)-4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl...) Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CC[C@H](O)CCCc2n1 Show InChI InChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)23-16-21(17-6-8-18(24)9-7-17)20-11-10-19(28)4-3-5-22(20)25-23/h6-9,16,19,28H,2-5,10-15H2,1H3/t19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against recombinant human dopamine receptor D2L in human liver microsomes				Bioorg Med Chem Lett 15: 1055-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.028 BindingDB Entry DOI: 10.7270/Q2Z60NKV
					More data for this Ligand-Target Pair
Nociceptin/mu opioid receptor (Rattus norvegicus (rat))	BDBM50283036 (CHEMBL294785 | [(S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3...) Show SMILES C[N+](C)(C)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C31H47N9O5/c1-40(2,3)17-15-24(27(33)42)37-30(45)26(19-20-8-5-4-6-9-20)39-29(44)25(10-7-16-36-31(34)35)38-28(43)23(32)18-21-11-13-22(41)14-12-21/h4-6,8-9,11-14,23-26H,7,10,15-19,32H2,1-3H3,(H9-,33,34,35,36,37,38,39,41,42,43,44,45)/p+1/t23-,24-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against mu-opioid receptor by using [3H]-DAGO as radioligand in rat brain				Bioorg Med Chem Lett 4: 2049-2054 (1994) Article DOI: 10.1016/S0960-894X(01)80561-8 BindingDB Entry DOI: 10.7270/Q2MK6CV3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50160808 (4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-5,...) Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCC[C@@H](O)CCc2n1 Show InChI InChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)23-16-21(17-6-8-18(24)9-7-17)20-5-3-4-19(28)10-11-22(20)25-23/h6-9,16,19,28H,2-5,10-15H2,1H3/t19-/m1/s1	Reactome pathway KEGG DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description In vitro binding affinity against recombinant human 5-hydroxytryptamine 2A receptor in human liver microsomes				Bioorg Med Chem Lett 15: 1055-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.028 BindingDB Entry DOI: 10.7270/Q2Z60NKV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50160810 ((S)-4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl...) Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCC[C@H](O)CCc2n1 Show InChI InChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)23-16-21(17-6-8-18(24)9-7-17)20-5-3-4-19(28)10-11-22(20)25-23/h6-9,16,19,28H,2-5,10-15H2,1H3/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against recombinant human dopamine receptor D2L in human liver microsomes				Bioorg Med Chem Lett 15: 1055-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.028 BindingDB Entry DOI: 10.7270/Q2Z60NKV
					More data for this Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat))	BDBM50132693 (4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)	Reactome pathway KEGG GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Affinity towards Dopamine receptor D2 in rat striatum using [3H]spiperone as radioligand				J Med Chem 46: 702-15 (2003) Article DOI: 10.1021/jm020270n BindingDB Entry DOI: 10.7270/Q25H7H06
					More data for this Ligand-Target Pair
HTR4 (GUINEA PIG)	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)	UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	14.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor				J Med Chem 46: 702-15 (2003) Article DOI: 10.1021/jm020270n BindingDB Entry DOI: 10.7270/Q25H7H06
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50160809 ((R)-4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl...) Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CC[C@H](O)CCCc2n1 Show InChI InChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)23-16-21(17-6-8-18(24)9-7-17)20-11-10-19(28)4-3-5-22(20)25-23/h6-9,16,19,28H,2-5,10-15H2,1H3/t19-/m1/s1	Reactome pathway KEGG DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description In vitro binding affinity against recombinant human 5-hydroxytryptamine 2A receptor in human liver microsomes				Bioorg Med Chem Lett 15: 1055-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.028 BindingDB Entry DOI: 10.7270/Q2Z60NKV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50160810 ((S)-4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl...) Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCC[C@H](O)CCc2n1 Show InChI InChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)23-16-21(17-6-8-18(24)9-7-17)20-5-3-4-19(28)10-11-22(20)25-23/h6-9,16,19,28H,2-5,10-15H2,1H3/t19-/m0/s1	Reactome pathway KEGG DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description In vitro binding affinity against recombinant human 5-hydroxytryptamine 2A receptor in human liver microsomes				Bioorg Med Chem Lett 15: 1055-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.028 BindingDB Entry DOI: 10.7270/Q2Z60NKV
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50144887 (CHEMBL443526 | Toluene-4-sulfonic acid 2-(2-{[acet...) Show SMILES COc1ccc(OCCOS(=O)(=O)c2ccc(C)cc2)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C31H30FNO7S/c1-22-9-13-28(14-10-22)41(35,36)39-18-17-38-30-16-12-27(37-3)19-24(30)21-33(23(2)34)29-20-25(32)11-15-31(29)40-26-7-5-4-6-8-26/h4-16,19-20H,17-18,21H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	18.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description In vitro inhibition of [11C]2 binding to Peripheral benzodiazepine receptor (PBR) in rat brain				J Med Chem 47: 2228-35 (2004) Article DOI: 10.1021/jm0304919 BindingDB Entry DOI: 10.7270/Q20G3KXQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50160806 (4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-5,...) Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CC[C@@H](O)CCCc2n1 Show InChI InChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)23-16-21(17-6-8-18(24)9-7-17)20-11-10-19(28)4-3-5-22(20)25-23/h6-9,16,19,28H,2-5,10-15H2,1H3/t19-/m0/s1	Reactome pathway KEGG DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description In vitro binding affinity against recombinant human 5-hydroxytryptamine 2A receptor in human liver microsomes				Bioorg Med Chem Lett 15: 1055-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.028 BindingDB Entry DOI: 10.7270/Q2Z60NKV
					More data for this Ligand-Target Pair
HTR4 (GUINEA PIG)	BDBM50005833 ((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12 Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1	UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor				J Med Chem 46: 702-15 (2003) Article DOI: 10.1021/jm020270n BindingDB Entry DOI: 10.7270/Q25H7H06
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50160806 (4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-5,...) Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CC[C@@H](O)CCCc2n1 Show InChI InChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)23-16-21(17-6-8-18(24)9-7-17)20-11-10-19(28)4-3-5-22(20)25-23/h6-9,16,19,28H,2-5,10-15H2,1H3/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against recombinant human dopamine receptor D2L in human liver microsomes				Bioorg Med Chem Lett 15: 1055-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.028 BindingDB Entry DOI: 10.7270/Q2Z60NKV
					More data for this Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat))	BDBM50123801 (4-Amino-N-[2-(benzyl-methyl-amino)-ethyl]-5-chloro...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCCN(C)Cc1ccccc1 Show InChI InChI=1S/C18H22ClN3O2/c1-22(12-13-6-4-3-5-7-13)9-8-21-18(23)14-10-15(19)16(20)11-17(14)24-2/h3-7,10-11H,8-9,12,20H2,1-2H3,(H,21,23)	Reactome pathway KEGG GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Affinity towards Dopamine receptor D2 in rat striatum using [3H]spiperone as radioligand				J Med Chem 46: 702-15 (2003) Article DOI: 10.1021/jm020270n BindingDB Entry DOI: 10.7270/Q25H7H06
					More data for this Ligand-Target Pair
HTR4 (GUINEA PIG)	BDBM50280258 (4-Amino-N-(S)-1-aza-bicyclo[3.3.1]non-4-yl-5-chlor...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2CCCC1C2 Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10?,14-/m0/s1	UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor				J Med Chem 46: 702-15 (2003) Article DOI: 10.1021/jm020270n BindingDB Entry DOI: 10.7270/Q25H7H06
					More data for this Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM82519 (4-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicycl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCC(C1)N2C Show InChI InChI=1S/C16H22ClN3O2/c1-20-10-3-4-11(20)6-9(5-10)19-16(21)12-7-13(17)14(18)8-15(12)22-2/h7-11H,3-6,18H2,1-2H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Patents Similars	Article PubMed	41.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor				J Med Chem 46: 702-15 (2003) Article DOI: 10.1021/jm020270n BindingDB Entry DOI: 10.7270/Q25H7H06
					More data for this Ligand-Target Pair

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