Compile Data Set for Download or QSAR

Found 320 hits Enz. Inhib. hit(s) with all data for entry = 50009356   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527849 (CHEMBL4527244) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cccc(Cl)c1Cl Show InChI InChI=1S/C29H33Cl2N3O.ClH/c1-2-17-34(20-23-19-25(23)24-8-7-9-26(30)28(24)31)18-6-5-16-33-29(35)22-13-11-21(12-14-22)27-10-3-4-15-32-27;/h3-4,7-15,23,25H,2,5-6,16-20H2,1H3,(H,33,35);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527852 (CHEMBL4443039) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C29H33Cl2N3O.ClH/c1-2-17-34(20-23-19-25(23)24-8-7-9-26(30)28(24)31)18-6-5-16-33-29(35)22-13-11-21(12-14-22)27-10-3-4-15-32-27;/h3-4,7-15,23,25H,2,5-6,16-20H2,1H3,(H,33,35);1H/t23-,25+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527851 (CHEMBL4590211) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cccc(Cl)c1Cl Show InChI InChI=1S/C28H32Cl2N2O.ClH/c1-2-15-32(19-23-18-25(23)24-10-7-11-26(29)27(24)30)16-6-5-14-31-28(33)22-13-12-20-8-3-4-9-21(20)17-22;/h3-4,7-13,17,23,25H,2,5-6,14-16,18-19H2,1H3,(H,31,33);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527889 (CHEMBL4439544) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C26H31Cl2N3O.ClH/c1-2-13-31(17-19-15-21(19)20-9-7-10-22(27)25(20)28)14-6-5-12-29-26(32)24-16-18-8-3-4-11-23(18)30-24;/h3-4,7-11,16,19,21,30H,2,5-6,12-15,17H2,1H3,(H,29,32);1H/t19-,21+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527871 (CHEMBL4456007) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cccc(Cl)c1Cl Show InChI InChI=1S/C26H31Cl2N3O.ClH/c1-2-13-31(17-19-15-21(19)20-9-7-10-22(27)25(20)28)14-6-5-12-29-26(32)24-16-18-8-3-4-11-23(18)30-24;/h3-4,7-11,16,19,21,30H,2,5-6,12-15,17H2,1H3,(H,29,32);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine 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	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527876 (CHEMBL4593394) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)C[C@H]1C[C@@H]1c1cc(F)ccc1OC |r| Show InChI InChI=1S/C30H36FN3O2.ClH/c1-3-17-34(21-24-19-26(24)27-20-25(31)13-14-29(27)36-2)18-7-6-16-33-30(35)23-11-9-22(10-12-23)28-8-4-5-15-32-28;/h4-5,8-15,20,24,26H,3,6-7,16-19,21H2,1-2H3,(H,33,35);1H/t24-,26+;/m1./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527882 (CHEMBL4442408) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C30H36FN3O2.ClH/c1-3-17-34(21-24-19-26(24)27-20-25(31)13-14-29(27)36-2)18-7-6-16-33-30(35)23-11-9-22(10-12-23)28-8-4-5-15-32-28;/h4-5,8-15,20,24,26H,3,6-7,16-19,21H2,1-2H3,(H,33,35);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527875 (CHEMBL4475406) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)C[C@@H]1C[C@H]1c1cc(F)ccc1OC |r| Show InChI InChI=1S/C30H36FN3O2.ClH/c1-3-17-34(21-24-19-26(24)27-20-25(31)13-14-29(27)36-2)18-7-6-16-33-30(35)23-11-9-22(10-12-23)28-8-4-5-15-32-28;/h4-5,8-15,20,24,26H,3,6-7,16-19,21H2,1-2H3,(H,33,35);1H/t24-,26+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527859 (CHEMBL4454380) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc2ccccc2c1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C28H32Cl2N2O.ClH/c1-2-15-32(19-23-18-25(23)24-10-7-11-26(29)27(24)30)16-6-5-14-31-28(33)22-13-12-20-8-3-4-9-21(20)17-22;/h3-4,7-13,17,23,25H,2,5-6,14-16,18-19H2,1H3,(H,31,33);1H/t23-,25+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527867 (CHEMBL4522558) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C29H33Cl2N3O.ClH/c1-2-17-34(20-23-19-25(23)24-8-7-9-26(30)28(24)31)18-6-5-16-33-29(35)22-13-11-21(12-14-22)27-10-3-4-15-32-27;/h3-4,7-15,23,25H,2,5-6,16-20H2,1H3,(H,33,35);1H/t23-,25+;/m1./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527894 (CHEMBL4531363) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C27H34FN3O2.ClH/c1-3-13-31(18-20-15-22(20)23-17-21(28)10-11-26(23)33-2)14-7-6-12-29-27(32)25-16-19-8-4-5-9-24(19)30-25;/h4-5,8-11,16-17,20,22,30H,3,6-7,12-15,18H2,1-2H3,(H,29,32);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527892 (CHEMBL4453478) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cccc(Cl)c1 Show InChI InChI=1S/C26H32ClN3O.ClH/c1-2-13-30(18-21-16-23(21)19-9-7-10-22(27)15-19)14-6-5-12-28-26(31)25-17-20-8-3-4-11-24(20)29-25;/h3-4,7-11,15,17,21,23,29H,2,5-6,12-14,16,18H2,1H3,(H,28,31);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527883 (CHEMBL4577162) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(Cl)ccc1OC Show InChI InChI=1S/C27H34ClN3O2.ClH/c1-3-13-31(18-20-15-22(20)23-17-21(28)10-11-26(23)33-2)14-7-6-12-29-27(32)25-16-19-8-4-5-9-24(19)30-25;/h4-5,8-11,16-17,20,22,30H,3,6-7,12-15,18H2,1-2H3,(H,29,32);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527868 (CHEMBL4586582) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C26H31Cl2N3O.ClH/c1-2-13-31(17-19-15-21(19)20-9-7-10-22(27)25(20)28)14-6-5-12-29-26(32)24-16-18-8-3-4-11-23(18)30-24;/h3-4,7-11,16,19,21,30H,2,5-6,12-15,17H2,1H3,(H,29,32);1H/t19-,21+;/m1./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527896 (CHEMBL4454872) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C29H35FN2O2.ClH/c1-3-15-32(20-24-18-26(24)27-19-25(30)12-13-28(27)34-2)16-7-6-14-31-29(33)23-11-10-21-8-4-5-9-22(21)17-23;/h4-5,8-13,17,19,24,26H,3,6-7,14-16,18,20H2,1-2H3,(H,31,33);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527872 (CHEMBL4452683) Show SMILES Cl.CCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C28H33FN2O2.ClH/c1-3-31(19-23-17-25(23)26-18-24(29)12-13-27(26)33-2)15-7-6-14-30-28(32)22-11-10-20-8-4-5-9-21(20)16-22;/h4-5,8-13,16,18,23,25H,3,6-7,14-15,17,19H2,1-2H3,(H,30,32);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527885 (CHEMBL4525624) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cccc(Cl)c1 Show InChI InChI=1S/C28H33ClN2O.ClH/c1-2-15-31(20-25-19-27(25)23-10-7-11-26(29)18-23)16-6-5-14-30-28(32)24-13-12-21-8-3-4-9-22(21)17-24;/h3-4,7-13,17-18,25,27H,2,5-6,14-16,19-20H2,1H3,(H,30,32);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527876 (CHEMBL4593394) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)C[C@H]1C[C@@H]1c1cc(F)ccc1OC |r| Show InChI InChI=1S/C30H36FN3O2.ClH/c1-3-17-34(21-24-19-26(24)27-20-25(31)13-14-29(27)36-2)18-7-6-16-33-30(35)23-11-9-22(10-12-23)28-8-4-5-15-32-28;/h4-5,8-15,20,24,26H,3,6-7,16-19,21H2,1-2H3,(H,33,35);1H/t24-,26+;/m1./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Antagonist activity at human Gi/o-coupled D3 receptor expressed in HEK293T cells assessed as suppression of dopamine-induced inhibition of isoprotere...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527855 (CHEMBL4543870) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1ccc(Cl)cc1 Show InChI InChI=1S/C29H34ClN3O.ClH/c1-2-18-33(21-25-20-27(25)22-12-14-26(30)15-13-22)19-6-5-17-32-29(34)24-10-8-23(9-11-24)28-7-3-4-16-31-28;/h3-4,7-16,25,27H,2,5-6,17-21H2,1H3,(H,32,34);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527874 (CHEMBL4590839) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cccc(F)c1 Show InChI InChI=1S/C26H32FN3O.ClH/c1-2-13-30(18-21-16-23(21)19-9-7-10-22(27)15-19)14-6-5-12-28-26(31)25-17-20-8-3-4-11-24(20)29-25;/h3-4,7-11,15,17,21,23,29H,2,5-6,12-14,16,18H2,1H3,(H,28,31);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527865 (CHEMBL4580817) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc2ccccc2c1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C28H32Cl2N2O.ClH/c1-2-15-32(19-23-18-25(23)24-10-7-11-26(29)27(24)30)16-6-5-14-31-28(33)22-13-12-20-8-3-4-9-21(20)17-22;/h3-4,7-13,17,23,25H,2,5-6,14-16,18-19H2,1H3,(H,31,33);1H/t23-,25+;/m1./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527864 (CHEMBL4561808) Show SMILES Cl.CCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C26H32FN3O2.ClH/c1-3-30(17-19-14-21(19)22-16-20(27)10-11-25(22)32-2)13-7-6-12-28-26(31)24-15-18-8-4-5-9-23(18)29-24;/h4-5,8-11,15-16,19,21,29H,3,6-7,12-14,17H2,1-2H3,(H,28,31);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527893 (CHEMBL4470439) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H34F3N3O.ClH/c1-2-18-36(21-25-20-27(25)22-12-14-26(15-13-22)30(31,32)33)19-6-5-17-35-29(37)24-10-8-23(9-11-24)28-7-3-4-16-34-28;/h3-4,7-16,25,27H,2,5-6,17-21H2,1H3,(H,35,37);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527862 (CHEMBL4541924) Show SMILES Cl.CCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(Cl)ccc1OC Show InChI InChI=1S/C28H33ClN2O2.ClH/c1-3-31(19-23-17-25(23)26-18-24(29)12-13-27(26)33-2)15-7-6-14-30-28(32)22-11-10-20-8-4-5-9-21(20)16-22;/h4-5,8-13,16,18,23,25H,3,6-7,14-15,17,19H2,1-2H3,(H,30,32);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527856 (CHEMBL4475699) Show SMILES Cl.COc1ccc(Cl)cc1C1CC1CN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1 Show InChI InChI=1S/C27H33ClN4OS.ClH/c1-31-26(20-7-4-3-5-8-20)29-30-27(31)34-14-6-13-32(17-19-9-10-19)18-21-15-23(21)24-16-22(28)11-12-25(24)33-2;/h3-5,7-8,11-12,16,19,21,23H,6,9-10,13-15,17-18H2,1-2H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527873 (CHEMBL4472900) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(Cl)cc1 Show InChI InChI=1S/C26H32ClN3O.ClH/c1-2-14-30(18-21-16-23(21)19-9-11-22(27)12-10-19)15-6-5-13-28-26(31)25-17-20-7-3-4-8-24(20)29-25;/h3-4,7-12,17,21,23,29H,2,5-6,13-16,18H2,1H3,(H,28,31);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527863 (CHEMBL4568916) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cccc(Cl)c1 Show InChI InChI=1S/C29H34ClN3O.ClH/c1-2-17-33(21-25-20-27(25)24-8-7-9-26(30)19-24)18-6-5-16-32-29(34)23-13-11-22(12-14-23)28-10-3-4-15-31-28;/h3-4,7-15,19,25,27H,2,5-6,16-18,20-21H2,1H3,(H,32,34);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527884 (CHEMBL4439535) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cccc(F)c1 Show InChI InChI=1S/C28H33FN2O.ClH/c1-2-15-31(20-25-19-27(25)23-10-7-11-26(29)18-23)16-6-5-14-30-28(32)24-13-12-21-8-3-4-9-22(21)17-24;/h3-4,7-13,17-18,25,27H,2,5-6,14-16,19-20H2,1H3,(H,30,32);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527870 (CHEMBL4456964) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(Cl)ccc1OC Show InChI InChI=1S/C29H35ClN2O2.ClH/c1-3-15-32(20-24-18-26(24)27-19-25(30)12-13-28(27)34-2)16-7-6-14-31-29(33)23-11-10-21-8-4-5-9-22(21)17-23;/h4-5,8-13,17,19,24,26H,3,6-7,14-16,18,20H2,1-2H3,(H,31,33);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50527897 (CHEMBL4590966) Show SMILES Cl.CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C25H31FN4OS.ClH/c1-4-30(17-19-15-21(19)22-16-20(26)11-12-23(22)31-3)13-8-14-32-25-28-27-24(29(25)2)18-9-6-5-7-10-18;/h5-7,9-12,16,19,21H,4,8,13-15,17H2,1-3H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D4 receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta ...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527891 (CHEMBL4578364) Show SMILES Cl.CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(Cl)ccc1OC Show InChI InChI=1S/C25H31ClN4OS.ClH/c1-4-30(17-19-15-21(19)22-16-20(26)11-12-23(22)31-3)13-8-14-32-25-28-27-24(29(25)2)18-9-6-5-7-10-18;/h5-7,9-12,16,19,21H,4,8,13-15,17H2,1-3H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527887 (CHEMBL4469584) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(Cl)cc1 Show InChI InChI=1S/C28H33ClN2O.ClH/c1-2-16-31(20-25-19-27(25)22-11-13-26(29)14-12-22)17-6-5-15-30-28(32)24-10-9-21-7-3-4-8-23(21)18-24;/h3-4,7-14,18,25,27H,2,5-6,15-17,19-20H2,1H3,(H,30,32);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527895 (CHEMBL4584481) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H32F3N3O.ClH/c1-2-14-33(18-21-16-23(21)19-9-11-22(12-10-19)27(28,29)30)15-6-5-13-31-26(34)25-17-20-7-3-4-8-24(20)32-25;/h3-4,7-12,17,21,23,32H,2,5-6,13-16,18H2,1H3,(H,31,34);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527869 (CHEMBL4584372) Show SMILES Cl.CCCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(Cl)ccc1OC Show InChI InChI=1S/C26H33ClN4OS.ClH/c1-4-13-31(18-20-16-22(20)23-17-21(27)11-12-24(23)32-3)14-8-15-33-26-29-28-25(30(26)2)19-9-6-5-7-10-19;/h5-7,9-12,17,20,22H,4,8,13-16,18H2,1-3H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527857 (CHEMBL4455719) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cc(Cl)ccc1OC Show InChI InChI=1S/C30H36ClN3O2.ClH/c1-3-17-34(21-24-19-26(24)27-20-25(31)13-14-29(27)36-2)18-7-6-16-33-30(35)23-11-9-22(10-12-23)28-8-4-5-15-32-28;/h4-5,8-15,20,24,26H,3,6-7,16-19,21H2,1-2H3,(H,33,35);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527888 (CHEMBL4444691) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H33F3N2O.ClH/c1-2-16-34(20-25-19-27(25)22-11-13-26(14-12-22)29(30,31)32)17-6-5-15-33-28(35)24-10-9-21-7-3-4-8-23(21)18-24;/h3-4,7-14,18,25,27H,2,5-6,15-17,19-20H2,1H3,(H,33,35);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527897 (CHEMBL4590966) Show SMILES Cl.CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C25H31FN4OS.ClH/c1-4-30(17-19-15-21(19)22-16-20(26)11-12-23(22)31-3)13-8-14-32-25-28-27-24(29(25)2)18-9-6-5-7-10-18;/h5-7,9-12,16,19,21H,4,8,13-15,17H2,1-3H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527854 (CHEMBL4452329) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cccc(F)c1 Show InChI InChI=1S/C29H34FN3O.ClH/c1-2-17-33(21-25-20-27(25)24-8-7-9-26(30)19-24)18-6-5-16-32-29(34)23-13-11-22(12-14-23)28-10-3-4-15-31-28;/h3-4,7-15,19,25,27H,2,5-6,16-18,20-21H2,1H3,(H,32,34);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50527867 (CHEMBL4522558) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C29H33Cl2N3O.ClH/c1-2-17-34(20-23-19-25(23)24-8-7-9-26(30)28(24)31)18-6-5-16-33-29(35)22-13-11-21(12-14-22)27-10-3-4-15-32-27;/h3-4,7-15,23,25H,2,5-6,16-20H2,1H3,(H,33,35);1H/t23-,25+;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-Mesulergine from recombinant human 5HT2C receptor expressed in HEKT cell membranes measured after 90 mins by microbeta scintilla...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527860 (CHEMBL4569006) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(F)cc1 Show InChI InChI=1S/C26H32FN3O.ClH/c1-2-14-30(18-21-16-23(21)19-9-11-22(27)12-10-19)15-6-5-13-28-26(31)25-17-20-7-3-4-8-24(20)29-25;/h3-4,7-12,17,21,23,29H,2,5-6,13-16,18H2,1H3,(H,28,31);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50527862 (CHEMBL4541924) Show SMILES Cl.CCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(Cl)ccc1OC Show InChI InChI=1S/C28H33ClN2O2.ClH/c1-3-31(19-23-17-25(23)26-18-24(29)12-13-27(26)33-2)15-7-6-14-30-28(32)22-11-10-20-8-4-5-9-21(20)16-22;/h4-5,8-13,16,18,23,25H,3,6-7,14-15,17,19H2,1-2H3,(H,30,32);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-Mesulergine from recombinant human 5HT2C receptor expressed in HEKT cell membranes measured after 90 mins by microbeta scintilla...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50527864 (CHEMBL4561808) Show SMILES Cl.CCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C26H32FN3O2.ClH/c1-3-30(17-19-14-21(19)22-16-20(27)10-11-25(22)32-2)13-7-6-12-28-26(31)24-15-18-8-4-5-9-23(18)29-24;/h4-5,8-11,15-16,19,21,29H,3,6-7,12-14,17H2,1-2H3,(H,28,31);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-Mesulergine from recombinant human 5HT2C receptor expressed in HEKT cell membranes measured after 90 mins by microbeta scintilla...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50527876 (CHEMBL4593394) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)C[C@H]1C[C@@H]1c1cc(F)ccc1OC |r| Show InChI InChI=1S/C30H36FN3O2.ClH/c1-3-17-34(21-24-19-26(24)27-20-25(31)13-14-29(27)36-2)18-7-6-16-33-30(35)23-11-9-22(10-12-23)28-8-4-5-15-32-28;/h4-5,8-15,20,24,26H,3,6-7,16-19,21H2,1-2H3,(H,33,35);1H/t24-,26+;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-Mesulergine from recombinant human 5HT2C receptor expressed in HEKT cell membranes measured after 90 mins by microbeta scintilla...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50527882 (CHEMBL4442408) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C30H36FN3O2.ClH/c1-3-17-34(21-24-19-26(24)27-20-25(31)13-14-29(27)36-2)18-7-6-16-33-30(35)23-11-9-22(10-12-23)28-8-4-5-15-32-28;/h4-5,8-15,20,24,26H,3,6-7,16-19,21H2,1-2H3,(H,33,35);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-Mesulergine from recombinant human 5HT2C receptor expressed in HEKT cell membranes measured after 90 mins by microbeta scintilla...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527879 (CHEMBL4450429) Show SMILES Cl.CCOc1ccc(F)cc1C1CC1CN(CC)CCCSc1nnc(-c2ccccc2)n1C Show InChI InChI=1S/C26H33FN4OS.ClH/c1-4-31(18-20-16-22(20)23-17-21(27)12-13-24(23)32-5-2)14-9-15-33-26-29-28-25(30(26)3)19-10-7-6-8-11-19;/h6-8,10-13,17,20,22H,4-5,9,14-16,18H2,1-3H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50527886 (CHEMBL4550187) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(F)cc1 Show InChI InChI=1S/C28H33FN2O.ClH/c1-2-16-31(20-25-19-27(25)22-11-13-26(29)14-12-22)17-6-5-15-30-28(32)24-10-9-21-7-3-4-8-23(21)18-24;/h3-4,7-14,18,25,27H,2,5-6,15-17,19-20H2,1H3,(H,30,32);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50527872 (CHEMBL4452683) Show SMILES Cl.CCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C28H33FN2O2.ClH/c1-3-31(19-23-17-25(23)26-18-24(29)12-13-27(26)33-2)15-7-6-14-30-28(32)22-11-10-20-8-4-5-9-21(20)16-22;/h4-5,8-13,16,18,23,25H,3,6-7,14-15,17,19H2,1-2H3,(H,30,32);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-Mesulergine from recombinant human 5HT2C receptor expressed in HEKT cell membranes measured after 90 mins by microbeta scintilla...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50527868 (CHEMBL4586582) Show SMILES Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C26H31Cl2N3O.ClH/c1-2-13-31(17-19-15-21(19)20-9-7-10-22(27)25(20)28)14-6-5-12-29-26(32)24-16-18-8-3-4-11-23(18)30-24;/h3-4,7-11,16,19,21,30H,2,5-6,12-15,17H2,1H3,(H,29,32);1H/t19-,21+;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-Mesulergine from recombinant human 5HT2C receptor expressed in HEKT cell membranes measured after 90 mins by microbeta scintilla...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50527896 (CHEMBL4454872) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C29H35FN2O2.ClH/c1-3-15-32(20-24-18-26(24)27-19-25(30)12-13-28(27)34-2)16-7-6-14-31-29(33)23-11-10-21-8-4-5-9-22(21)17-23;/h4-5,8-13,17,19,24,26H,3,6-7,14-16,18,20H2,1-2H3,(H,31,33);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-Mesulergine from recombinant human 5HT2C receptor expressed in HEKT cell membranes measured after 90 mins by microbeta scintilla...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835 BindingDB Entry DOI: 10.7270/Q2F1935W
					More data for this Ligand-Target Pair

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