Compile Data Set for Download or QSAR

Found 389 hits with Last Name = 'modi' and Initial = 'g'   

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 (Rattus norvegicus (Rat))	BDBM50400590 (CHEMBL2206264) Show SMILES CCCN(CCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C35H54N2O2/c1-3-22-36(30-18-20-32-28(26-30)14-12-16-34(32)38)24-10-8-6-5-7-9-11-25-37(23-4-2)31-19-21-33-29(27-31)15-13-17-35(33)39/h12-17,30-31,38-39H,3-11,18-27H2,1-2H3/t30-,31-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50400595 (CHEMBL2206273) Show SMILES CCCN(CCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C33H50N2O2/c1-3-20-34(28-16-18-30-26(24-28)12-10-14-32(30)36)22-8-6-5-7-9-23-35(21-4-2)29-17-19-31-27(25-29)13-11-15-33(31)37/h10-15,28-29,36-37H,3-9,16-25H2,1-2H3/t28-,29-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50400599 (CHEMBL2206269) Show SMILES CCCN(CCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C28H40N2O2/c1-3-15-29(23-11-13-25-21(19-23)7-5-9-27(25)31)17-18-30(16-4-2)24-12-14-26-22(20-24)8-6-10-28(26)32/h5-10,23-24,31-32H,3-4,11-20H2,1-2H3/t23-,24-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50115277 ((2R,3R)-6-Dipropylamino-5,6,7,8-tetrahydro-naphtha...) Show SMILES CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50402408 (CHEMBL2203332) Show SMILES CCCC[N+]1=C(\C=C\c2ccc(cc2)N(CC)CC)C(C)(C)c2ccccc12 |c:4| Show InChI InChI=1S/C26H35N2/c1-6-9-20-28-24-13-11-10-12-23(24)26(4,5)25(28)19-16-21-14-17-22(18-15-21)27(7-2)8-3/h10-19H,6-9,20H2,1-5H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01619 BindingDB Entry DOI: 10.7270/Q2X92GCK
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50400589 (CHEMBL2206265) Show SMILES CCCN(CCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C36H56N2O2/c1-3-23-37(31-19-21-33-29(27-31)15-13-17-35(33)39)25-11-9-7-5-6-8-10-12-26-38(24-4-2)32-20-22-34-30(28-32)16-14-18-36(34)40/h13-18,31-32,39-40H,3-12,19-28H2,1-2H3/t31-,32-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50400589 (CHEMBL2206265) Show SMILES CCCN(CCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C36H56N2O2/c1-3-23-37(31-19-21-33-29(27-31)15-13-17-35(33)39)25-11-9-7-5-6-8-10-12-26-38(24-4-2)32-20-22-34-30(28-32)16-14-18-36(34)40/h13-18,31-32,39-40H,3-12,19-28H2,1-2H3/t31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D2L receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50400596 (CHEMBL2206272) Show SMILES CCCN(CCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C32H48N2O2/c1-3-19-33(27-15-17-29-25(23-27)11-9-13-31(29)35)21-7-5-6-8-22-34(20-4-2)28-16-18-30-26(24-28)12-10-14-32(30)36/h9-14,27-28,35-36H,3-8,15-24H2,1-2H3/t27-,28-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50400590 (CHEMBL2206264) Show SMILES CCCN(CCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C35H54N2O2/c1-3-22-36(30-18-20-32-28(26-30)14-12-16-34(32)38)24-10-8-6-5-7-9-11-25-37(23-4-2)31-19-21-33-29(27-31)15-13-17-35(33)39/h12-17,30-31,38-39H,3-11,18-27H2,1-2H3/t30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D2L receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50400597 (CHEMBL2206271) Show SMILES CCCN(CCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C31H46N2O2/c1-3-18-32(26-14-16-28-24(22-26)10-8-12-30(28)34)20-6-5-7-21-33(19-4-2)27-15-17-29-25(23-27)11-9-13-31(29)35/h8-13,26-27,34-35H,3-7,14-23H2,1-2H3/t26-,27-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50400595 (CHEMBL2206273) Show SMILES CCCN(CCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C33H50N2O2/c1-3-20-34(28-16-18-30-26(24-28)12-10-14-32(30)36)22-8-6-5-7-9-23-35(21-4-2)29-17-19-31-27(25-29)13-11-15-33(31)37/h10-15,28-29,36-37H,3-9,16-25H2,1-2H3/t28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D2L receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50400598 (CHEMBL2206270) Show SMILES CCCN(CCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C30H44N2O2/c1-3-17-31(25-13-15-27-23(21-25)9-7-11-29(27)33)19-5-6-20-32(18-4-2)26-14-16-28-24(22-26)10-8-12-30(28)34/h7-12,25-26,33-34H,3-6,13-22H2,1-2H3/t25-,26-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50488953 (CHEMBL2296467) Show SMILES COc1ccc2nc(\N=C\c3ccc(cc3)N(C)C)sc2c1 Show InChI InChI=1S/C17H17N3OS/c1-20(2)13-6-4-12(5-7-13)11-18-17-19-15-9-8-14(21-3)10-16(15)22-17/h4-11H,1-3H3/b18-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01619 BindingDB Entry DOI: 10.7270/Q2X92GCK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50400596 (CHEMBL2206272) Show SMILES CCCN(CCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C32H48N2O2/c1-3-19-33(27-15-17-29-25(23-27)11-9-13-31(29)35)21-7-5-6-8-22-34(20-4-2)28-16-18-30-26(24-28)12-10-14-32(30)36/h9-14,27-28,35-36H,3-8,15-24H2,1-2H3/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D2L receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50458333 (CHEMBL4210820) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(C(=O)N(C(C1=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C28H20Cl2N2O6S2/c29-21-11-15-23(16-12-21)39(35,36)31-25(19-7-3-1-4-8-19)27(33)32(26(28(31)34)20-9-5-2-6-10-20)40(37,38)24-17-13-22(30)14-18-24/h1-18,25-26H	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition b...				Eur J Med Chem 150: 87-101 (2018) Article DOI: 10.1016/j.ejmech.2018.02.078 BindingDB Entry DOI: 10.7270/Q2SJ1P72
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50400592 (CHEMBL2203317) Show SMILES CCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C22H37NO/c1-3-5-6-7-8-9-10-17-23(16-4-2)20-14-15-21-19(18-20)12-11-13-22(21)24/h11-13,20,24H,3-10,14-18H2,1-2H3/t20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50400594 (CHEMBL2206266) Show SMILES CCCN(CCCCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C38H60N2O2/c1-3-25-39(33-21-23-35-31(29-33)17-15-19-37(35)41)27-13-11-9-7-5-6-8-10-12-14-28-40(26-4-2)34-22-24-36-32(30-34)18-16-20-38(36)42/h15-20,33-34,41-42H,3-14,21-30H2,1-2H3/t33-,34-/m0/s1	KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50400594 (CHEMBL2206266) Show SMILES CCCN(CCCCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C38H60N2O2/c1-3-25-39(33-21-23-35-31(29-33)17-15-19-37(35)41)27-13-11-9-7-5-6-8-10-12-14-28-40(26-4-2)34-22-24-36-32(30-34)18-16-20-38(36)42/h15-20,33-34,41-42H,3-14,21-30H2,1-2H3/t33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D2L receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	12.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50343477 ((3S,6S)-6-Benzhydryl-N-(4-methoxybenzyl)tetrahydro...) Show SMILES COc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H29NO2/c1-28-24-15-12-20(13-16-24)18-27-23-14-17-25(29-19-23)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,15-16,23,25-27H,14,17-19H2,1H3/t23-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt 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
Wayne State University Curated by ChEMBL					Assay Description Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50598566 (CHEMBL5192359) Show SMILES [#6]-[#7](-[#6])-c1ccc(\[#6]=[#6]\[#6]=[#6]\[#6]=[#6]-2/[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-2=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01619 BindingDB Entry DOI: 10.7270/Q2X92GCK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50190609 ((2S,4R,5R)-5-(4-methoxybenzylamino)-2-benzhydryl-t...) Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H29NO3/c1-29-22-14-12-19(13-15-22)17-27-23-18-30-25(16-24(23)28)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23-28H,16-18H2,1H3/t23-,24-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343477 ((3S,6S)-6-Benzhydryl-N-(4-methoxybenzyl)tetrahydro...) Show SMILES COc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H29NO2/c1-28-24-15-12-20(13-16-24)18-27-23-14-17-25(29-19-23)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,15-16,23,25-27H,14,17-19H2,1H3/t23-,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50400599 (CHEMBL2206269) Show SMILES CCCN(CCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C28H40N2O2/c1-3-15-29(23-11-13-25-21(19-23)7-5-9-27(25)31)17-18-30(16-4-2)24-12-14-26-22(20-24)8-6-10-28(26)32/h5-10,23-24,31-32H,3-4,11-20H2,1-2H3/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D2L receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	16.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50458333 (CHEMBL4210820) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(C(=O)N(C(C1=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C28H20Cl2N2O6S2/c29-21-11-15-23(16-12-21)39(35,36)31-25(19-7-3-1-4-8-19)27(33)32(26(28(31)34)20-9-5-2-6-10-20)40(37,38)24-17-13-22(30)14-18-24/h1-18,25-26H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Competitive inhibition of human MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH as substrate preincubated for 60 mins followed by substrate addition by...				Eur J Med Chem 150: 87-101 (2018) Article DOI: 10.1016/j.ejmech.2018.02.078 BindingDB Entry DOI: 10.7270/Q2SJ1P72
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50109051 (CHEMBL330529 | Methyl-[4-(6-methyl-benzothiazol-2-...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(C)cc2s1 Show InChI InChI=1S/C15H14N2S/c1-10-3-8-13-14(9-10)18-15(17-13)11-4-6-12(16-2)7-5-11/h3-9,16H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01619 BindingDB Entry DOI: 10.7270/Q2X92GCK
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50400591 (CHEMBL2206268) Show SMILES CCCN(CCCCCCCCCc1ccccc1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C28H41NO/c1-2-21-29(26-19-20-27-25(23-26)17-13-18-28(27)30)22-12-7-5-3-4-6-9-14-24-15-10-8-11-16-24/h8,10-11,13,15-18,26,30H,2-7,9,12,14,19-23H2,1H3/t26-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50190601 ((2S,4R,5R)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-a...) Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H28N2O2/c30-25-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-24(25)29-17-19-11-12-23-22(15-19)13-14-28-23/h1-15,24-30H,16-18H2/t24-,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt 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
Wayne State University Curated by ChEMBL					Assay Description Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343470 ((3S,6S)-6-Benzhydryl-N-(pyridin-4-ylmethyl)tetrahy...) Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccncc1 |r| Show InChI InChI=1S/C24H26N2O/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)23-12-11-22(18-27-23)26-17-19-13-15-25-16-14-19/h1-10,13-16,22-24,26H,11-12,17-18H2/t22-,23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50190603 (CHEMBL211077 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...) Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H27NO2/c27-23-14-11-19(12-15-23)17-26-22-13-16-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-27H,13,16-18H2/t22-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50400593 (CHEMBL2206267) Show SMILES CCCN(CCCCCCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C40H64N2O2/c1-3-27-41(35-23-25-37-33(31-35)19-17-21-39(37)43)29-15-13-11-9-7-5-6-8-10-12-14-16-30-42(28-4-2)36-24-26-38-34(32-36)20-18-22-40(38)44/h17-22,35-36,43-44H,3-16,23-32H2,1-2H3/t35-,36-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343473 (3-((((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-yl)...) Show SMILES Oc1cccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C25H27NO2/c27-23-13-7-8-19(16-23)17-26-22-14-15-24(28-18-22)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,16,22,24-27H,14-15,17-18H2/t22-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50598556 (CHEMBL5174620) Show SMILES [#6]-[#7](-[#6])-c1ccc(\[#6]=[#6]\[#6]=[#6]\[#6]=[#6](\C#N)C#N)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01619 BindingDB Entry DOI: 10.7270/Q2X92GCK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50190609 ((2S,4R,5R)-5-(4-methoxybenzylamino)-2-benzhydryl-t...) Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H29NO3/c1-29-22-14-12-19(13-15-22)17-27-23-18-30-25(16-24(23)28)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23-28H,16-18H2,1H3/t23-,24-,25+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50343473 (3-((((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-yl)...) Show SMILES Oc1cccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C25H27NO2/c27-23-13-7-8-19(16-23)17-26-22-14-15-24(28-18-22)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,16,22,24-27H,14-15,17-18H2/t22-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343474 ((3S,6S)-6-Benzhydryl-N-(thiophen-2-ylmethyl)tetrah...) Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1cccs1 |r| Show InChI InChI=1S/C23H25NOS/c1-3-8-18(9-4-1)23(19-10-5-2-6-11-19)22-14-13-20(17-25-22)24-16-21-12-7-15-26-21/h1-12,15,20,22-24H,13-14,16-17H2/t20-,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	41.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50190603 (CHEMBL211077 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...) Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H27NO2/c27-23-14-11-19(12-15-23)17-26-22-13-16-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-27H,13,16-18H2/t22-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343476 ((3S,6S)-N-((1H-Pyrrol-2-yl)methyl)-6-benzhydryltet...) Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc[nH]1 |r| Show InChI InChI=1S/C23H26N2O/c1-3-8-18(9-4-1)23(19-10-5-2-6-11-19)22-14-13-21(17-26-22)25-16-20-12-7-15-24-20/h1-12,15,21-25H,13-14,16-17H2/t21-,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343463 ((S)-2-((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-y...) Show SMILES O[C@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H29NO2/c28-24(20-10-4-1-5-11-20)18-27-23-16-17-25(29-19-23)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-28H,16-19H2/t23-,24+,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50400593 (CHEMBL2206267) Show SMILES CCCN(CCCCCCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C40H64N2O2/c1-3-27-41(35-23-25-37-33(31-35)19-17-21-39(37)43)29-15-13-11-9-7-5-6-8-10-12-14-16-30-42(28-4-2)36-24-26-38-34(32-36)20-18-22-40(38)44/h17-22,35-36,43-44H,3-16,23-32H2,1-2H3/t35-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D2L receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50115277 ((2R,3R)-6-Dipropylamino-5,6,7,8-tetrahydro-naphtha...) Show SMILES CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D2L receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50400592 (CHEMBL2203317) Show SMILES CCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C22H37NO/c1-3-5-6-7-8-9-10-17-23(16-4-2)20-14-15-21-19(18-20)12-11-13-22(21)24/h11-13,20,24H,3-10,14-18H2,1-2H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D2L receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50400598 (CHEMBL2206270) Show SMILES CCCN(CCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C30H44N2O2/c1-3-17-31(25-13-15-27-23(21-25)9-7-11-29(27)33)19-5-6-20-32(18-4-2)26-14-16-28-24(22-26)10-8-12-30(28)34/h7-12,25-26,33-34H,3-6,13-22H2,1-2H3/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D2L receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343464 ((R)-2-(3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-yl...) Show SMILES O[C@@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H28FNO2/c27-22-13-11-19(12-14-22)24(29)17-28-23-15-16-25(30-18-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-26,28-29H,15-18H2/t23-,24-,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50400597 (CHEMBL2206271) Show SMILES CCCN(CCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C31H46N2O2/c1-3-18-32(26-14-16-28-24(22-26)10-8-12-30(28)34)20-6-5-7-21-33(19-4-2)27-15-17-29-25(23-27)11-9-13-31(29)35/h8-13,26-27,34-35H,3-7,14-23H2,1-2H3/t26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat cloned dopamine D2L receptor expressed in HEK-293 cells by competition binding assay				ACS Med Chem Lett 3: 991-996 (2012) Article DOI: 10.1021/ml3002117 BindingDB Entry DOI: 10.7270/Q26M3804
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50190601 ((2S,4R,5R)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-a...) Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H28N2O2/c30-25-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-24(25)29-17-19-11-12-23-22(15-19)13-14-28-23/h1-15,24-30H,16-18H2/t24-,25-,26+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50343471 ((3S,6S)-6-Benzhydryl-N-(naphthalen-1-ylmethyl)tetr...) Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C29H29NO/c1-3-11-23(12-4-1)29(24-13-5-2-6-14-24)28-19-18-26(21-31-28)30-20-25-16-9-15-22-10-7-8-17-27(22)25/h1-17,26,28-30H,18-21H2/t26-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50343465 ((S)-2-(((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-...) Show SMILES O[C@H](CN[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H28FNO2/c27-22-13-11-19(12-14-22)24(29)17-28-23-15-16-25(30-18-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-26,28-29H,15-18H2/t23-,24+,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation				J Med Chem 54: 2924-32 (2011) Article DOI: 10.1021/jm200020a BindingDB Entry DOI: 10.7270/Q2125T0F
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50598555 (CHEMBL1171026 | [125I]BODIPY7) Show SMILES CC1=CC(C)=[N+]2C1=Cc1ccc(\C=C\c3ccc(s3)-c3ccc([125I])cc3)n1[B-]2(F)F |c:4,t:1,7| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01619 BindingDB Entry DOI: 10.7270/Q2X92GCK
					More data for this Ligand-Target Pair

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