Compile Data Set for Download or QSAR

Found 258 hits with Last Name = 'hobrath' and Initial = 'jv'   

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))	BDBM50057761 (CHEMBL3322994) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)c1Cl Show InChI InChI=1S/C22H25Cl2N5O/c23-17-6-5-7-19(21(17)24)28-14-12-27(13-15-28)10-4-2-9-25-22(30)18-16-29-11-3-1-8-20(29)26-18/h1,3,5-8,11,16H,2,4,9-10,12-15H2,(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057773 (CHEMBL3322995) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C23H26F3N5O/c24-23(25,26)18-6-5-7-19(16-18)30-14-12-29(13-15-30)10-4-2-9-27-22(32)20-17-31-11-3-1-8-21(31)28-20/h1,3,5-8,11,16-17H,2,4,9-10,12-15H2,(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057772 (CHEMBL3322993) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C23H29N5O2/c1-30-21-9-3-2-8-20(21)27-16-14-26(15-17-27)12-7-5-11-24-23(29)19-18-28-13-6-4-10-22(28)25-19/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057762 (CHEMBL3323011 | US9598387, Compound 113 | US996974...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057770 (CHEMBL3323013) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2nc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-32-19(25(26,27)28)16-20(33-23)35-14-12-34(13-15-35)11-7-6-10-29-22(36)21-30-17-8-4-5-9-18(17)31-21/h4-5,8-9,16H,6-7,10-15H2,1-3H3,(H,29,36)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057789 (CHEMBL3322996) Show SMILES FC(F)(F)c1cc(cc(c1)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1)C#N Show InChI InChI=1S/C24H25F3N6O/c25-24(26,27)19-13-18(16-28)14-20(15-19)32-11-9-31(10-12-32)7-4-2-6-29-23(34)21-17-33-8-3-1-5-22(33)30-21/h1,3,5,8,13-15,17H,2,4,6-7,9-12H2,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057763 (CHEMBL3323016 | US9598387, Compound 115 | US996974...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccncc3n2)CC1 Show InChI InChI=1S/C24H31F3N8O/c1-23(2,3)22-31-18(24(25,26)27)14-19(32-22)34-12-10-33(11-13-34)8-5-4-6-29-21(36)17-16-35-9-7-28-15-20(35)30-17/h7,9,14-16H,4-6,8,10-13H2,1-3H3,(H,29,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057777 (CHEMBL3323010 | US9598387, Compound 112 | US996974...) Show SMILES CC(C)(C)c1nc(cc(n1)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1)C1CC1 Show InChI InChI=1S/C27H37N7O/c1-27(2,3)26-30-21(20-9-10-20)18-24(31-26)33-16-14-32(15-17-33)12-7-5-11-28-25(35)22-19-34-13-6-4-8-23(34)29-22/h4,6,8,13,18-20H,5,7,9-12,14-17H2,1-3H3,(H,28,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057762 (CHEMBL3323011 | US9598387, Compound 113 | US996974...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from wild type human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057753 (CHEMBL3323112 | US9598387, Compound 120 | US996974...) Show SMILES CN(C)Cc1c(nc2ccccn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-33-21(28(29,30)31)18-23(35-26)38-16-14-37(15-17-38)12-9-7-11-32-25(40)24-20(19-36(4)5)39-13-8-6-10-22(39)34-24/h6,8,10,13,18H,7,9,11-12,14-17,19H2,1-5H3,(H,32,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from wild type human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057779 (CHEMBL3323008 | US9598387, Compound 111 | US996974...) Show SMILES Cc1cc(nc(n1)C(C)(C)C)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C25H35N7O/c1-19-17-22(29-24(27-19)25(2,3)4)31-15-13-30(14-16-31)11-8-6-10-26-23(33)20-18-32-12-7-5-9-21(32)28-20/h5,7,9,12,17-18H,6,8,10-11,13-16H2,1-4H3,(H,26,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057759 (CHEMBL3323117) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)[C@H]2CC[C@@H](CC2)c2ccccc2)CC1 |r,wU:25.25,wD:28.32,(27.3,-46.4,;28.08,-45.07,;29.62,-45.07,;28.84,-46.39,;27.31,-43.73,;25.77,-43.72,;25.02,-42.38,;25.78,-41.06,;27.32,-41.06,;28.09,-42.4,;28.09,-39.73,;29.63,-39.73,;27.32,-38.39,;28.85,-38.38,;23.48,-42.38,;22.7,-43.71,;21.17,-43.7,;20.4,-42.37,;18.86,-42.37,;18.09,-41.04,;16.55,-41.04,;15.78,-39.71,;14.24,-39.71,;13.47,-38.37,;14.24,-37.04,;11.93,-38.37,;11.17,-39.71,;9.63,-39.71,;8.86,-38.37,;9.64,-37.04,;11.17,-37.04,;7.32,-38.37,;6.56,-37.03,;5.02,-37.02,;4.24,-38.35,;5.02,-39.69,;6.55,-39.69,;21.16,-41.03,;22.71,-41.04,)| Show InChI InChI=1S/C30H42F3N5O/c1-29(2,3)28-35-25(30(31,32)33)21-26(36-28)38-19-17-37(18-20-38)16-8-7-15-34-27(39)24-13-11-23(12-14-24)22-9-5-4-6-10-22/h4-6,9-10,21,23-24H,7-8,11-20H2,1-3H3,(H,34,39)/t23-,24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057767 (CHEMBL3323017 | US9598387, Compound 116 | US996974...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3nc(Cl)ccc3n2)CC1 Show InChI InChI=1S/C24H30ClF3N8O/c1-23(2,3)22-31-17(24(26,27)28)14-20(32-22)35-12-10-34(11-13-35)9-5-4-8-29-21(37)16-15-36-19(30-16)7-6-18(25)33-36/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,29,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057790 (CHEMBL3322992) Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)c1cn2ccccc2n1 Show InChI InChI=1S/C22H27N5O/c28-22(20-18-27-13-6-4-10-21(27)24-20)23-11-5-7-12-25-14-16-26(17-15-25)19-8-2-1-3-9-19/h1-4,6,8-10,13,18H,5,7,11-12,14-17H2,(H,23,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057771 (CHEMBL3323012) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H33F3N6O/c1-25(2,3)24-32-21(26(27,28)29)17-22(33-24)35-14-12-34(13-15-35)11-7-6-10-30-23(36)20-16-18-8-4-5-9-19(18)31-20/h4-5,8-9,16-17,31H,6-7,10-15H2,1-3H3,(H,30,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057757 (CHEMBL3323114 | US9598387, Compound 121 | US996974...) Show SMILES CN(C)Cc1cccc2nc(cn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-34-22(28(29,30)31)17-24(35-26)38-15-13-37(14-16-38)12-7-6-11-32-25(40)21-19-39-20(18-36(4)5)9-8-10-23(39)33-21/h8-10,17,19H,6-7,11-16,18H2,1-5H3,(H,32,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R E90Q mutant expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057768 (CHEMBL3323015 | US9598387, Compound 114 | US996974...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3cccnc3n2)CC1 Show InChI InChI=1S/C24H31F3N8O/c1-23(2,3)21-31-18(24(25,26)27)15-19(32-21)34-13-11-33(12-14-34)9-5-4-7-28-20(36)17-16-35-10-6-8-29-22(35)30-17/h6,8,10,15-16H,4-5,7,9,11-14H2,1-3H3,(H,28,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057757 (CHEMBL3323114 | US9598387, Compound 121 | US996974...) Show SMILES CN(C)Cc1cccc2nc(cn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-34-22(28(29,30)31)17-24(35-26)38-15-13-37(14-16-38)12-7-6-11-32-25(40)21-19-39-20(18-36(4)5)9-8-10-23(39)33-21/h8-10,17,19H,6-7,11-16,18H2,1-5H3,(H,32,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R E90A mutant expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057762 (CHEMBL3323011 | US9598387, Compound 113 | US996974...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R S182I mutant expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50057761 (CHEMBL3322994) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)c1Cl Show InChI InChI=1S/C22H25Cl2N5O/c23-17-6-5-7-19(21(17)24)28-14-12-27(13-15-28)10-4-2-9-25-22(30)18-16-29-11-3-1-8-20(29)26-18/h1,3,5-8,11,16H,2,4,9-10,12-15H2,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D2LR expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057762 (CHEMBL3323011 | US9598387, Compound 113 | US996974...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R E90A mutant expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057753 (CHEMBL3323112 | US9598387, Compound 120 | US996974...) Show SMILES CN(C)Cc1c(nc2ccccn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-33-21(28(29,30)31)18-23(35-26)38-16-14-37(15-17-38)12-9-7-11-32-25(40)24-20(19-36(4)5)39-13-8-6-10-22(39)34-24/h6,8,10,13,18H,7,9,11-12,14-17,19H2,1-5H3,(H,32,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R E90A mutant expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057753 (CHEMBL3323112 | US9598387, Compound 120 | US996974...) Show SMILES CN(C)Cc1c(nc2ccccn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-33-21(28(29,30)31)18-23(35-26)38-16-14-37(15-17-38)12-9-7-11-32-25(40)24-20(19-36(4)5)39-13-8-6-10-22(39)34-24/h6,8,10,13,18H,7,9,11-12,14-17,19H2,1-5H3,(H,32,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R S182I mutant expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057757 (CHEMBL3323114 | US9598387, Compound 121 | US996974...) Show SMILES CN(C)Cc1cccc2nc(cn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-34-22(28(29,30)31)17-24(35-26)38-15-13-37(14-16-38)12-7-6-11-32-25(40)21-19-39-20(18-36(4)5)9-8-10-23(39)33-21/h8-10,17,19H,6-7,11-16,18H2,1-5H3,(H,32,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from wild type human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057778 (CHEMBL3323009 | US9598387, Compound 122 | US996974...) Show SMILES CC(C)(C)c1cc(nc(n1)C(C)(C)C)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C28H41N7O/c1-27(2,3)22-19-24(32-26(31-22)28(4,5)6)34-17-15-33(16-18-34)13-10-8-12-29-25(36)21-20-35-14-9-7-11-23(35)30-21/h7,9,11,14,19-20H,8,10,12-13,15-18H2,1-6H3,(H,29,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50057772 (CHEMBL3322993) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C23H29N5O2/c1-30-21-9-3-2-8-20(21)27-16-14-26(15-17-27)12-7-5-11-24-23(29)19-18-28-13-6-4-10-22(28)25-19/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D2LR expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057753 (CHEMBL3323112 | US9598387, Compound 120 | US996974...) Show SMILES CN(C)Cc1c(nc2ccccn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-33-21(28(29,30)31)18-23(35-26)38-16-14-37(15-17-38)12-9-7-11-32-25(40)24-20(19-36(4)5)39-13-8-6-10-22(39)34-24/h6,8,10,13,18H,7,9,11-12,14-17,19H2,1-5H3,(H,32,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R E90Q mutant expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057762 (CHEMBL3323011 | US9598387, Compound 113 | US996974...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R E90Q mutant expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057774 (CHEMBL3322998 | US9598387, Compound 117 | US996974...) Show SMILES O=C(NCCCCN1CCN(CC1)c1ccnc2ccccc12)c1cn2ccccc2n1 Show InChI InChI=1S/C25H28N6O/c32-25(22-19-31-14-5-3-9-24(31)28-22)27-11-4-6-13-29-15-17-30(18-16-29)23-10-12-26-21-8-2-1-7-20(21)23/h1-3,5,7-10,12,14,19H,4,6,11,13,15-18H2,(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057757 (CHEMBL3323114 | US9598387, Compound 121 | US996974...) Show SMILES CN(C)Cc1cccc2nc(cn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-34-22(28(29,30)31)17-24(35-26)38-15-13-37(14-16-38)12-7-6-11-32-25(40)21-19-39-20(18-36(4)5)9-8-10-23(39)33-21/h8-10,17,19H,6-7,11-16,18H2,1-5H3,(H,32,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R S182I mutant expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057749 (CHEMBL3323019) Show SMILES CN(C)Cc1c([nH]c2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C29H40F3N7O/c1-28(2,3)27-35-23(29(30,31)32)18-24(36-27)39-16-14-38(15-17-39)13-9-8-12-33-26(40)25-21(19-37(4)5)20-10-6-7-11-22(20)34-25/h6-7,10-11,18,34H,8-9,12-17,19H2,1-5H3,(H,33,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057753 (CHEMBL3323112 | US9598387, Compound 120 | US996974...) Show SMILES CN(C)Cc1c(nc2ccccn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-33-21(28(29,30)31)18-23(35-26)38-16-14-37(15-17-38)12-9-7-11-32-25(40)24-20(19-36(4)5)39-13-8-6-10-22(39)34-24/h6,8,10,13,18H,7,9,11-12,14-17,19H2,1-5H3,(H,32,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from chimeric human D3 receptor possessing extracellular loop II of D2 receptor expressed in HEK293 cell membranes by gamm...				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057757 (CHEMBL3323114 | US9598387, Compound 121 | US996974...) Show SMILES CN(C)Cc1cccc2nc(cn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-34-22(28(29,30)31)17-24(35-26)38-15-13-37(14-16-38)12-7-6-11-32-25(40)21-19-39-20(18-36(4)5)9-8-10-23(39)33-21/h8-10,17,19H,6-7,11-16,18H2,1-5H3,(H,32,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057753 (CHEMBL3323112 | US9598387, Compound 120 | US996974...) Show SMILES CN(C)Cc1c(nc2ccccn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-33-21(28(29,30)31)18-23(35-26)38-16-14-37(15-17-38)12-9-7-11-32-25(40)24-20(19-36(4)5)39-13-8-6-10-22(39)34-24/h6,8,10,13,18H,7,9,11-12,14-17,19H2,1-5H3,(H,32,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057785 (CHEMBL3323001 | US9598387, Compound 118 | US996974...) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C25H27ClN6O/c26-19-6-7-20-21(17-19)27-10-8-23(20)31-15-13-30(14-16-31)11-4-2-9-28-25(33)22-18-32-12-3-1-5-24(32)29-22/h1,3,5-8,10,12,17-18H,2,4,9,11,13-16H2,(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057769 (CHEMBL3323014) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3cccnc3s2)CC1 Show InChI InChI=1S/C25H31F3N6OS/c1-24(2,3)23-31-19(25(26,27)28)16-20(32-23)34-13-11-33(12-14-34)10-5-4-8-29-21(35)18-15-17-7-6-9-30-22(17)36-18/h6-7,9,15-16H,4-5,8,10-14H2,1-3H3,(H,29,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057764 (CHEMBL3323115 | US9598387, Compound 108 | US996974...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)C2CCN(CC2)c2ccccc2)CC1 Show InChI InChI=1S/C29H41F3N6O/c1-28(2,3)27-34-24(29(30,31)32)21-25(35-27)38-19-17-36(18-20-38)14-8-7-13-33-26(39)22-11-15-37(16-12-22)23-9-5-4-6-10-23/h4-6,9-10,21-22H,7-8,11-20H2,1-3H3,(H,33,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057766 (CHEMBL3323018) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2sc3ncccc3c2N)CC1 Show InChI InChI=1S/C25H32F3N7OS/c1-24(2,3)23-32-17(25(26,27)28)15-18(33-23)35-13-11-34(12-14-35)10-5-4-8-30-21(36)20-19(29)16-7-6-9-31-22(16)37-20/h6-7,9,15H,4-5,8,10-14,29H2,1-3H3,(H,30,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057776 (CHEMBL3323116 | US9598387, Compound 109 | US996974...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)C2CCN(Cc3ccccc3)CC2)CC1 Show InChI InChI=1S/C30H43F3N6O/c1-29(2,3)28-35-25(30(31,32)33)21-26(36-28)39-19-17-37(18-20-39)14-8-7-13-34-27(40)24-11-15-38(16-12-24)22-23-9-5-4-6-10-23/h4-6,9-10,21,24H,7-8,11-20,22H2,1-3H3,(H,34,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057762 (CHEMBL3323011 | US9598387, Compound 113 | US996974...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from chimeric human D3 receptor possessing extracellular loop II of D2 receptor expressed in HEK293 cell membranes by gamm...				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057757 (CHEMBL3323114 | US9598387, Compound 121 | US996974...) Show SMILES CN(C)Cc1cccc2nc(cn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-34-22(28(29,30)31)17-24(35-26)38-15-13-37(14-16-38)12-7-6-11-32-25(40)21-19-39-20(18-36(4)5)9-8-10-23(39)33-21/h8-10,17,19H,6-7,11-16,18H2,1-5H3,(H,32,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from chimeric human D3 receptor possessing extracellular loop II of D2 receptor expressed in HEK293 cell membranes by gamm...				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057765 (CHEMBL3323113 | US9598387, Compound 119 | US996974...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3c(CO)cccc3n2)CC1 Show InChI InChI=1S/C26H34F3N7O2/c1-25(2,3)24-32-20(26(27,28)29)15-22(33-24)35-13-11-34(12-14-35)10-5-4-9-30-23(38)19-16-36-18(17-37)7-6-8-21(36)31-19/h6-8,15-16,37H,4-5,9-14,17H2,1-3H3,(H,30,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50057753 (CHEMBL3323112 | US9598387, Compound 120 | US996974...) Show SMILES CN(C)Cc1c(nc2ccccn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-33-21(28(29,30)31)18-23(35-26)38-16-14-37(15-17-38)12-9-7-11-32-25(40)24-20(19-36(4)5)39-13-8-6-10-22(39)34-24/h6,8,10,13,18H,7,9,11-12,14-17,19H2,1-5H3,(H,32,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from chimeric human D2 receptor possessing extracellular loop II of D3 receptor expressed in HEK293 cell membranes by gamm...				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057784 (CHEMBL3323002) Show SMILES O=C(NCCCCN1CCN(CC1)c1ccc2ccccc2n1)c1cn2ccccc2n1 Show InChI InChI=1S/C25H28N6O/c32-25(22-19-31-14-5-3-9-23(31)28-22)26-12-4-6-13-29-15-17-30(18-16-29)24-11-10-20-7-1-2-8-21(20)27-24/h1-3,5,7-11,14,19H,4,6,12-13,15-18H2,(H,26,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057783 (CHEMBL3323004 | US9598387, Compound 123 | US996974...) Show SMILES CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)c2ccccc2n1 Show InChI InChI=1S/C28H35N7O/c1-28(2,3)27-31-22-11-5-4-10-21(22)25(32-27)34-18-16-33(17-19-34)14-9-7-13-29-26(36)23-20-35-15-8-6-12-24(35)30-23/h4-6,8,10-12,15,20H,7,9,13-14,16-19H2,1-3H3,(H,29,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057786 (CHEMBL3323000 | US9598387, Compound 124 | US996974...) Show SMILES FC(F)(F)c1ccc2c(ccnc2c1)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C26H27F3N6O/c27-26(28,29)19-6-7-20-21(17-19)30-10-8-23(20)34-15-13-33(14-16-34)11-4-2-9-31-25(36)22-18-35-12-3-1-5-24(35)32-22/h1,3,5-8,10,12,17-18H,2,4,9,11,13-16H2,(H,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50158159 (CHEMBL3780036) Show SMILES NC(=N)c1cccc(c1)N1CC(COCc2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O Show InChI InChI=1S/C32H39N5O2/c33-31(34)29-12-7-13-30(18-29)37-22-28(24-39-23-27-10-5-2-6-11-27)21-36(32(37)38)20-26-14-16-35(17-15-26)19-25-8-3-1-4-9-25/h1-13,18,26,28H,14-17,19-24H2,(H3,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Curated by ChEMBL					Assay Description Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis				ACS Med Chem Lett 7: 177-81 (2016) Article DOI: 10.1021/acsmedchemlett.5b00357 BindingDB Entry DOI: 10.7270/Q2Z60QZM
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057788 (CHEMBL3322997) Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C30H43N5O/c1-29(2,3)23-19-24(30(4,5)6)21-25(20-23)34-17-15-33(16-18-34)13-10-8-12-31-28(36)26-22-35-14-9-7-11-27(35)32-26/h7,9,11,14,19-22H,8,10,12-13,15-18H2,1-6H3,(H,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057780 (CHEMBL3323007 | US9598387, Compound 125 | US996974...) Show SMILES Cc1nc(cc(n1)C(C)(C)C)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C25H35N7O/c1-19-27-21(25(2,3)4)17-23(28-19)31-15-13-30(14-16-31)11-8-6-10-26-24(33)20-18-32-12-7-5-9-22(32)29-20/h5,7,9,12,17-18H,6,8,10-11,13-16H2,1-4H3,(H,26,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50057781 (CHEMBL3323006) Show SMILES Cc1cc(nc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1 Show InChI InChI=1S/C22H26F3N7O/c1-16-14-19(29-21(27-16)22(23,24)25)31-12-10-30(11-13-31)8-5-3-7-26-20(33)17-15-32-9-4-2-6-18(32)28-17/h2,4,6,9,14-15H,3,5,7-8,10-13H2,1H3,(H,26,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method				J Med Chem 57: 7042-60 (2014) Article DOI: 10.1021/jm500801r BindingDB Entry DOI: 10.7270/Q27D2WSR
					More data for this Ligand-Target Pair

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