Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'mekapati' and Initial = 'sb'   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50061349 (CHEMBL129534 | [2-(3-Chloro-phenoxy)-ethyl]-(3-phe...) Show SMILES Clc1cccc(OCCNCCCOc2ccccc2)c1 Show InChI InChI=1S/C17H20ClNO2/c18-15-6-4-9-17(14-15)21-13-11-19-10-5-12-20-16-7-2-1-3-8-16/h1-4,6-9,14,19H,5,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.309	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061345 (CHEMBL129927 | [2-(3,4-Dimethyl-phenoxy)-ethyl]-(3...) Show SMILES Cc1ccc(OCCNCCCOc2ccccc2)cc1C Show InChI InChI=1S/C19H25NO2/c1-16-9-10-19(15-17(16)2)22-14-12-20-11-6-13-21-18-7-4-3-5-8-18/h3-5,7-10,15,20H,6,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.347	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061351 ((3-Phenoxy-propyl)-(2-m-tolyloxy-ethyl)-amine | CH...) Show SMILES Cc1cccc(OCCNCCCOc2ccccc2)c1 Show InChI InChI=1S/C18H23NO2/c1-16-7-5-10-18(15-16)21-14-12-19-11-6-13-20-17-8-3-2-4-9-17/h2-5,7-10,15,19H,6,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.457	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061334 (CHEMBL131997 | [2-(3-Chloro-4-methyl-phenoxy)-ethy...) Show SMILES Cc1ccc(OCCNCCCOc2ccccc2)cc1Cl Show InChI InChI=1S/C18H22ClNO2/c1-15-8-9-17(14-18(15)19)22-13-11-20-10-5-12-21-16-6-3-2-4-7-16/h2-4,6-9,14,20H,5,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061339 (CHEMBL132884 | [2-(4-Chloro-phenoxy)-ethyl]-(3-phe...) Show SMILES Clc1ccc(OCCNCCCOc2ccccc2)cc1 Show InChI InChI=1S/C17H20ClNO2/c18-15-7-9-17(10-8-15)21-14-12-19-11-4-13-20-16-5-2-1-3-6-16/h1-3,5-10,19H,4,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061332 ((3-Phenoxy-propyl)-(2-p-tolyloxy-ethyl)-amine | CH...) Show SMILES Cc1ccc(OCCNCCCOc2ccccc2)cc1 Show InChI InChI=1S/C18H23NO2/c1-16-8-10-18(11-9-16)21-15-13-19-12-5-14-20-17-6-3-2-4-7-17/h2-4,6-11,19H,5,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061330 (CHEMBL129757 | [2-(4-Chloro-phenoxy)-ethyl]-[3-(4-...) Show SMILES Fc1ccc(OCCCNCCOc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C17H19ClFNO2/c18-14-2-6-16(7-3-14)22-13-11-20-10-1-12-21-17-8-4-15(19)5-9-17/h2-9,20H,1,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.832	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061325 (CHEMBL131357 | [3-(4-Fluoro-phenoxy)-propyl]-(2-p-...) Show SMILES Cc1ccc(OCCNCCCOc2ccc(F)cc2)cc1 Show InChI InChI=1S/C18H22FNO2/c1-15-3-7-17(8-4-15)22-14-12-20-11-2-13-21-18-9-5-16(19)6-10-18/h3-10,20H,2,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.955	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061324 ((2-p-Tolyloxy-ethyl)-(3-o-tolyloxy-propyl)-amine |...) Show SMILES Cc1ccc(OCCNCCCOc2ccccc2C)cc1 Show InChI InChI=1S/C19H25NO2/c1-16-8-10-18(11-9-16)21-15-13-20-12-5-14-22-19-7-4-3-6-17(19)2/h3-4,6-11,20H,5,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061327 ((2-p-Tolyloxy-ethyl)-(3-m-tolyloxy-propyl)-amine |...) Show SMILES Cc1ccc(OCCNCCCOc2cccc(C)c2)cc1 Show InChI InChI=1S/C19H25NO2/c1-16-7-9-18(10-8-16)22-14-12-20-11-4-13-21-19-6-3-5-17(2)15-19/h3,5-10,15,20H,4,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058234 (CHEMBL300956 | N-[4-(2-Cyano-phenyl)-piperazin-1-y...) Show SMILES Cc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C20H22N4O/c1-16-6-8-17(9-7-16)20(25)22-15-23-10-12-24(13-11-23)19-5-3-2-4-18(19)14-21/h2-9H,10-13,15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D4 expressed in CHO cells was determined by using [3H]thymidine as radioligand				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061346 ((2-Phenoxy-ethyl)-(3-phenoxy-propyl)-amine | CHEMB...) Show SMILES C(CNCCOc1ccccc1)COc1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-3-8-16(9-4-1)19-14-7-12-18-13-15-20-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061337 ((2-Phenoxy-ethyl)-(3-p-tolyloxy-propyl)-amine | CH...) Show SMILES Cc1ccc(OCCCNCCOc2ccccc2)cc1 Show InChI InChI=1S/C18H23NO2/c1-16-8-10-18(11-9-16)20-14-5-12-19-13-15-21-17-6-3-2-4-7-17/h2-4,6-11,19H,5,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061336 (4-[2-(3-Phenoxy-propylamino)-ethoxy]-phenol | CHEM...) Show SMILES Oc1ccc(OCCNCCCOc2ccccc2)cc1 Show InChI InChI=1S/C17H21NO3/c19-15-7-9-17(10-8-15)21-14-12-18-11-4-13-20-16-5-2-1-3-6-16/h1-3,5-10,18-19H,4,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058222 (CHEMBL51023 | N-[4-(2-Methoxy-phenyl)-piperazin-1-...) Show SMILES COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1 Show InChI InChI=1S/C20H25N3O2/c1-16-7-9-17(10-8-16)20(24)21-15-22-11-13-23(14-12-22)18-5-3-4-6-19(18)25-2/h3-10H,11-15H2,1-2H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D4 expressed in CHO cells was determined by using [3H]thymidine as radioligand				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058223 (4-Chloro-N-[4-(2-methoxy-phenyl)-piperazin-1-ylmet...) Show SMILES COc1ccccc1N1CCN(CNC(=O)c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C19H22ClN3O2/c1-25-18-5-3-2-4-17(18)23-12-10-22(11-13-23)14-21-19(24)15-6-8-16(20)9-7-15/h2-9H,10-14H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D4 expressed in CHO cells was determined by using [3H]thymidine as radioligand				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50061334 (CHEMBL131997 | [2-(3-Chloro-4-methyl-phenoxy)-ethy...) Show SMILES Cc1ccc(OCCNCCCOc2ccccc2)cc1Cl Show InChI InChI=1S/C18H22ClNO2/c1-15-8-9-17(14-18(15)19)22-13-11-20-10-5-12-21-16-6-3-2-4-7-16/h2-4,6-9,14,20H,5,10-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D3 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058233 (4-Chloro-N-[4-(2-cyano-phenyl)-piperazin-1-ylmethy...) Show SMILES Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C19H19ClN4O/c20-17-7-5-15(6-8-17)19(25)22-14-23-9-11-24(12-10-23)18-4-2-1-3-16(18)13-21/h1-8H,9-12,14H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D4 expressed in CHO cells was determined by using [3H]thymidine as radioligand				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061348 (CHEMBL132455 | [2-(4-Nitro-phenoxy)-ethyl]-(3-phen...) Show SMILES [O-][N+](=O)c1ccc(OCCNCCCOc2ccccc2)cc1 Show InChI InChI=1S/C17H20N2O4/c20-19(21)15-7-9-17(10-8-15)23-14-12-18-11-4-13-22-16-5-2-1-3-6-16/h1-3,5-10,18H,4,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061340 (CHEMBL131396 | [2-(2-Chloro-phenoxy)-ethyl]-(3-phe...) Show SMILES Clc1ccccc1OCCNCCCOc1ccccc1 Show InChI InChI=1S/C17H20ClNO2/c18-16-9-4-5-10-17(16)21-14-12-19-11-6-13-20-15-7-2-1-3-8-15/h1-5,7-10,19H,6,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50175151 (3-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....) Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9| Show InChI InChI=1S/C29H30F2N2O2/c30-22-10-6-20(7-11-22)29(21-8-12-23(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-28(34)32-24-4-2-1-3-5-24/h1-13,25-27,29H,14-19H2,(H,32,34)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Ability of compound to inhibit dopamine uptake of receptor was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058230 (4-Chloro-N-[4-(2-chloro-phenyl)-piperazin-1-ylmeth...) Show SMILES Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1Cl Show InChI InChI=1S/C18H19Cl2N3O/c19-15-7-5-14(6-8-15)18(24)21-13-22-9-11-23(12-10-22)17-4-2-1-3-16(17)20/h1-8H,9-13H2,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity of compound towards human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058226 (3-Chloro-N-[4-(2-cyano-phenyl)-piperazin-1-ylmethy...) Show SMILES Clc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C19H19ClN4O/c20-17-6-3-5-15(12-17)19(25)22-14-23-8-10-24(11-9-23)18-7-2-1-4-16(18)13-21/h1-7,12H,8-11,14H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D4 expressed in CHO cells was determined by using [3H]thymidine as radioligand				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061343 (CHEMBL128276 | [2-(4-Methoxy-phenoxy)-ethyl]-(3-ph...) Show SMILES COc1ccc(OCCNCCCOc2ccccc2)cc1 Show InChI InChI=1S/C18H23NO3/c1-20-16-8-10-18(11-9-16)22-15-13-19-12-5-14-21-17-6-3-2-4-7-17/h2-4,6-11,19H,5,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058233 (4-Chloro-N-[4-(2-cyano-phenyl)-piperazin-1-ylmethy...) Show SMILES Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C19H19ClN4O/c20-17-7-5-15(6-8-17)19(25)22-14-23-9-11-24(12-10-23)18-4-2-1-3-16(18)13-21/h1-8H,9-12,14H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity of compound towards human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061326 (CHEMBL131484 | [2-(4-Chloro-phenoxy)-ethyl]-(3-p-t...) Show SMILES Cc1ccc(OCCCNCCOc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C18H22ClNO2/c1-15-3-7-17(8-4-15)21-13-2-11-20-12-14-22-18-9-5-16(19)6-10-18/h3-10,20H,2,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50148744 (CHEMBL115253 | N-(2-{3-[Bis-(4-fluoro-phenyl)-meth...) Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13| Show InChI InChI=1S/C29H30F2N2O2/c30-23-10-6-20(7-11-23)28(21-8-12-24(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-32-29(34)22-4-2-1-3-5-22/h1-13,25-28H,14-19H2,(H,32,34)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Ability of compound to inhibit dopamine uptake of receptor was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058234 (CHEMBL300956 | N-[4-(2-Cyano-phenyl)-piperazin-1-y...) Show SMILES Cc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C20H22N4O/c1-16-6-8-17(9-7-16)20(25)22-15-23-10-12-24(13-11-23)19-5-3-2-4-18(19)14-21/h2-9H,10-13,15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity of compound towards human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058232 (CHEMBL296506 | N-[4-(2-Methoxy-phenyl)-piperazin-1...) Show SMILES COc1ccccc1N1CCN(CNC(=O)c2cccc(C)c2)CC1 Show InChI InChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)20(24)21-15-22-10-12-23(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	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity of compound towards human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058222 (CHEMBL51023 | N-[4-(2-Methoxy-phenyl)-piperazin-1-...) Show SMILES COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1 Show InChI InChI=1S/C20H25N3O2/c1-16-7-9-17(10-8-16)20(24)21-15-22-11-13-23(14-12-22)18-5-3-4-6-19(18)25-2/h3-10H,11-15H2,1-2H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity of compound towards human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50148741 (Benzyl-(2-{3-[bis-(4-fluoro-phenyl)-methoxy]-8-aza...) Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13| Show InChI InChI=1S/C29H32F2N2O/c30-24-10-6-22(7-11-24)29(23-8-12-25(31)13-9-23)34-28-18-26-14-15-27(19-28)33(26)17-16-32-20-21-4-2-1-3-5-21/h1-13,26-29,32H,14-20H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Ability of compound to inhibit dopamine uptake of receptor was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058230 (4-Chloro-N-[4-(2-chloro-phenyl)-piperazin-1-ylmeth...) Show SMILES Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1Cl Show InChI InChI=1S/C18H19Cl2N3O/c19-15-7-5-14(6-8-15)18(24)21-13-22-9-11-23(12-10-22)17-4-2-1-3-16(17)20/h1-8H,9-13H2,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D4 expressed in CHO cells was determined by using [3H]thymidine as radioligand				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8.71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity of compound towards human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061344 ((2-p-Tolyloxy-ethyl)-(3-p-tolyloxy-propyl)-amine |...) Show SMILES Cc1ccc(OCCCNCCOc2ccc(C)cc2)cc1 Show InChI InChI=1S/C19H25NO2/c1-16-4-8-18(9-5-16)21-14-3-12-20-13-15-22-19-10-6-17(2)7-11-19/h4-11,20H,3,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058220 (CHEMBL51536 | N-[4-(2-Chloro-phenyl)-piperazin-1-y...) Show SMILES Cc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1Cl Show InChI InChI=1S/C19H22ClN3O/c1-15-6-8-16(9-7-15)19(24)21-14-22-10-12-23(13-11-22)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity of compound towards human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058232 (CHEMBL296506 | N-[4-(2-Methoxy-phenyl)-piperazin-1...) Show SMILES COc1ccccc1N1CCN(CNC(=O)c2cccc(C)c2)CC1 Show InChI InChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)20(24)21-15-22-10-12-23(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	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D4 expressed in CHO cells was determined by using [3H]thymidine as radioligand				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM86701 (3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...) Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Ability of compound to inhibit dopamine uptake of receptor was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058223 (4-Chloro-N-[4-(2-methoxy-phenyl)-piperazin-1-ylmet...) Show SMILES COc1ccccc1N1CCN(CNC(=O)c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C19H22ClN3O2/c1-25-18-5-3-2-4-17(18)23-12-10-22(11-13-23)14-21-19(24)15-6-8-16(20)9-7-15/h2-9H,10-14H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity of compound towards human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50148736 (CHEMBL112528 | N-(2-{3-[Bis-(4-fluoro-phenyl)-meth...) Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1cccnc1)c1ccc(F)cc1 |THB:8:9:16:12.13| Show InChI InChI=1S/C28H29F2N3O2/c29-22-7-3-19(4-8-22)27(20-5-9-23(30)10-6-20)35-26-16-24-11-12-25(17-26)33(24)15-14-32-28(34)21-2-1-13-31-18-21/h1-10,13,18,24-27H,11-12,14-17H2,(H,32,34)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	14.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Ability of compound to inhibit dopamine uptake of receptor was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058228 (3-Chloro-N-[4-(2-methoxy-phenyl)-piperazin-1-ylmet...) Show SMILES COc1ccccc1N1CCN(CNC(=O)c2cccc(Cl)c2)CC1 Show InChI InChI=1S/C19H22ClN3O2/c1-25-18-8-3-2-7-17(18)23-11-9-22(10-12-23)14-21-19(24)15-5-4-6-16(20)13-15/h2-8,13H,9-12,14H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D4 expressed in CHO cells was determined by using [3H]thymidine as radioligand				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058228 (3-Chloro-N-[4-(2-methoxy-phenyl)-piperazin-1-ylmet...) Show SMILES COc1ccccc1N1CCN(CNC(=O)c2cccc(Cl)c2)CC1 Show InChI InChI=1S/C19H22ClN3O2/c1-25-18-8-3-2-7-17(18)23-11-9-22(10-12-23)14-21-19(24)15-5-4-6-16(20)13-15/h2-8,13H,9-12,14H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity of compound towards human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058224 (CHEMBL298166 | N-[4-(2-Chloro-phenyl)-piperazin-1-...) Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1Cl Show InChI InChI=1S/C19H22ClN3O/c1-15-5-4-6-16(13-15)19(24)21-14-22-9-11-23(12-10-22)18-8-3-2-7-17(18)20/h2-8,13H,9-12,14H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D4 expressed in CHO cells was determined by using [3H]thymidine as radioligand				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50061340 (CHEMBL131396 | [2-(2-Chloro-phenoxy)-ethyl]-(3-phe...) Show SMILES Clc1ccccc1OCCNCCCOc1ccccc1 Show InChI InChI=1S/C17H20ClNO2/c18-16-9-4-5-10-17(16)21-14-12-19-11-6-13-20-15-7-2-1-3-8-15/h1-5,7-10,19H,6,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D3 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058225 (CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...) Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	17.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D4 expressed in CHO cells was determined by using [3H]thymidine as radioligand				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50148742 (3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[2-(thiophen-2...) Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1cccs1)c1ccc(F)cc1 |THB:8:9:16:12.13| Show InChI InChI=1S/C27H29F2NO2S/c28-21-7-3-19(4-8-21)27(20-5-9-22(29)10-6-20)32-25-16-23-11-12-24(17-25)30(23)13-14-31-18-26-2-1-15-33-26/h1-10,15,23-25,27H,11-14,16-18H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Ability of compound to inhibit dopamine uptake of receptor was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50061335 ((3-Phenoxy-propyl)-(2-o-tolyloxy-ethyl)-amine | CH...) Show SMILES Cc1ccccc1OCCNCCCOc1ccccc1 Show InChI InChI=1S/C18H23NO2/c1-16-8-5-6-11-18(16)21-15-13-19-12-7-14-20-17-9-3-2-4-10-17/h2-6,8-11,19H,7,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D2 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50061349 (CHEMBL129534 | [2-(3-Chloro-phenoxy)-ethyl]-(3-phe...) Show SMILES Clc1cccc(OCCNCCCOc2ccccc2)c1 Show InChI InChI=1S/C17H20ClNO2/c18-15-6-4-9-17(14-15)21-13-11-19-10-5-12-20-16-7-2-1-3-8-16/h1-4,6-9,14,19H,5,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D2 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058231 (CHEMBL48807 | N-[4-(2-Methoxy-phenyl)-piperazin-1-...) Show SMILES COc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1 Show InChI InChI=1S/C19H23N3O2/c1-24-18-10-6-5-9-17(18)22-13-11-21(12-14-22)15-20-19(23)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity of compound towards human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50148740 (8-(2-Benzyloxy-ethyl)-3-[bis-(4-fluoro-phenyl)-met...) Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13| Show InChI InChI=1S/C29H31F2NO2/c30-24-10-6-22(7-11-24)29(23-8-12-25(31)13-9-23)34-28-18-26-14-15-27(19-28)32(26)16-17-33-20-21-4-2-1-3-5-21/h1-13,26-29H,14-20H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Ability of compound to inhibit dopamine uptake of receptor was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50039177 (3-[Bis-(4-chloro-phenyl)-methoxy]-8-methyl-8-aza-b...) Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C21H23Cl2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Ability of compound to inhibit dopamine uptake of receptor was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair

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