Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'mathis' and Initial = 'ca'   

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(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the presence ...				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007522 (5-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,3-dime...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC |r| Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the presence ...				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008783 (CHEMBL42448 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-3-...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CCCF)cc(OC)c1OC Show InChI InChI=1S/C19H29FN2O4/c1-4-22-10-6-8-14(22)12-21-19(24)16-17(23)13(7-5-9-20)11-15(25-2)18(16)26-3/h11,14,23H,4-10,12H2,1-3H3,(H,21,24)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the presence ...				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008782 (CHEMBL44237 | EPIDEPRIDE | Epidepride;N-(1-Ethyl-p...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC Show InChI InChI=1S/C16H23IN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the absence o...				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008782 (CHEMBL44237 | EPIDEPRIDE | Epidepride;N-(1-Ethyl-p...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC Show InChI InChI=1S/C16H23IN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]- spiperone from dopamine receptor D2 of striatal membranes without sodium chloride				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007522 (5-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,3-dime...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC |r| Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]- spiperone from dopamine receptor D2 of striatal membranes without sodium chloride				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008786 (CHEMBL43506 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-3-...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CCF)cc(OC)c1OC Show InChI InChI=1S/C18H27FN2O4/c1-4-21-9-5-6-13(21)11-20-18(23)15-16(22)12(7-8-19)10-14(24-2)17(15)25-3/h10,13,22H,4-9,11H2,1-3H3,(H,20,23)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the presence ...				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008786 (CHEMBL43506 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-3-...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CCF)cc(OC)c1OC Show InChI InChI=1S/C18H27FN2O4/c1-4-21-9-5-6-13(21)11-20-18(23)15-16(22)12(7-8-19)10-14(24-2)17(15)25-3/h10,13,22H,4-9,11H2,1-3H3,(H,20,23)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]- spiperone from dopamine receptor D2 of striatal membranes without sodium chloride				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008783 (CHEMBL42448 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-3-...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CCCF)cc(OC)c1OC Show InChI InChI=1S/C19H29FN2O4/c1-4-22-10-6-8-14(22)12-21-19(24)16-17(23)13(7-5-9-20)11-15(25-2)18(16)26-3/h11,14,23H,4-10,12H2,1-3H3,(H,21,24)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]- spiperone from dopamine receptor D2 of striatal membranes without sodium chloride				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]- spiperone from dopamine receptor D2 of striatal membranes without sodium chloride				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008785 (CHEMBL42953 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-5-...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC Show InChI InChI=1S/C19H29FN2O3/c1-4-22-10-6-8-15(22)13-21-19(23)16-11-14(7-5-9-20)12-17(24-2)18(16)25-3/h11-12,15H,4-10,13H2,1-3H3,(H,21,23)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the presence ...				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008788 (CHEMBL42260 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-2-...) Show SMILES CCCc1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O Show InChI InChI=1S/C19H30N2O4/c1-5-8-13-11-15(24-3)18(25-4)16(17(13)22)19(23)20-12-14-9-7-10-21(14)6-2/h11,14,22H,5-10,12H2,1-4H3,(H,20,23)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]- spiperone from dopamine receptor D2 of striatal membranes without sodium chloride				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008784 (CHEMBL288704 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-5...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(CCF)cc(OC)c1OC Show InChI InChI=1S/C18H27FN2O3/c1-4-21-9-5-6-14(21)12-20-18(22)15-10-13(7-8-19)11-16(23-2)17(15)24-3/h10-11,14H,4-9,12H2,1-3H3,(H,20,22)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the presence ...				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM31046 (3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...) Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the presence ...				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129794 (CHEMBL328660 | [4-(6-Bromo-benzothiazol-2-yl)-phen...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(Br)cc2s1 Show InChI InChI=1S/C14H11BrN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the absence o...				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129784 (4-(6-Methoxybenzo[d]thiazol-2-yl)-N,N-dimethylanil...) Show SMILES COc1ccc2nc(sc2c1)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C16H16N2OS/c1-18(2)12-6-4-11(5-7-12)16-17-14-9-8-13(19-3)10-15(14)20-16/h4-10H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the presence ...				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM303149 (US10137210, Example [N-methyl-11C]6-MeO-BTA-2) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(CO)cc2s1 Show InChI InChI=1S/C16H16N2OS/c1-18(2)13-6-4-12(5-7-13)16-17-14-8-3-11(10-19)9-15(14)20-16/h3-9,19H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50100133 (CHEMBL55401 | [4-(6-Bromo-benzothiazol-2-yl)-pheny...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(Br)cc2s1 Show InChI InChI=1S/C15H13BrN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,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	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM303166 (US10137210, Example 00026) Show SMILES CNc1ccc(cc1I)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H11IN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129791 ((4-Benzothiazol-2-yl-phenyl)-dimethyl-amine | 4-(B...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccccc2s1 Show InChI InChI=1S/C15H14N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129793 (2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129792 (2-(4-Dimethylamino-phenyl)-benzothiazol-6-ol | CHE...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C15H14N2OS/c1-17(2)11-5-3-10(4-6-11)15-16-13-8-7-12(18)9-14(13)19-15/h3-9,18H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008785 (CHEMBL42953 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-5-...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC Show InChI InChI=1S/C19H29FN2O3/c1-4-22-10-6-8-15(22)13-21-19(23)16-11-14(7-5-9-20)12-17(24-2)18(16)25-3/h11-12,15H,4-10,13H2,1-3H3,(H,21,23)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the presence ...				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129786 (CHEMBL94230 | [4-(6-Methoxy-benzothiazol-2-yl)-phe...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(OC)cc2s1 Show InChI InChI=1S/C15H14N2OS/c1-16-11-5-3-10(4-6-11)15-17-13-8-7-12(18-2)9-14(13)19-15/h3-9,16H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM303164 (US10137210, Example 00024) Show SMILES CNc1ccc(cc1I)-c1nc2ccccc2s1 Show InChI InChI=1S/C14H11IN2S/c1-16-11-7-6-9(8-10(11)15)14-17-12-4-2-3-5-13(12)18-14/h2-8,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50008782 (CHEMBL44237 | EPIDEPRIDE | Epidepride;N-(1-Ethyl-p...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC Show InChI InChI=1S/C16H23IN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the presence ...				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008784 (CHEMBL288704 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-5...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(CCF)cc(OC)c1OC Show InChI InChI=1S/C18H27FN2O3/c1-4-21-9-5-6-14(21)12-20-18(22)15-10-13(7-8-19)11-16(23-2)17(15)24-3/h10-11,14H,4-9,12H2,1-3H3,(H,20,22)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]- spiperone from dopamine receptor D2 of striatal membranes without sodium chloride				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM303148 (US10137210, Example [N-methyl-11C]6-MeO-BTA-1) Show SMILES CNc1ccc(cc1)-c1nc2ccc(CO)cc2s1 Show InChI InChI=1S/C15H14N2OS/c1-16-12-5-3-11(4-6-12)15-17-13-7-2-10(9-18)8-14(13)19-15/h2-8,16,18H,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50052701 (2-(4-Aminophenyl)-6-methoxybenzothiazole | 4-(6-Me...) Show SMILES COc1ccc2nc(sc2c1)-c1ccc(N)cc1 Show InChI InChI=1S/C14H12N2OS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008787 (CHEMBL43552 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCCc1cc(OC)c(OC)c(c1)C(=O)NC[C@@H]1CCCN1CC Show InChI InChI=1S/C19H30N2O3/c1-5-8-14-11-16(18(24-4)17(12-14)23-3)19(22)20-13-15-9-7-10-21(15)6-2/h11-12,15H,5-10,13H2,1-4H3,(H,20,22)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]- spiperone from dopamine receptor D2 of striatal membranes without sodium chloride				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129783 (4-(6-Bromo-benzothiazol-2-yl)-phenylamine | CHEMBL...) Show SMILES Nc1ccc(cc1)-c1nc2ccc(Br)cc2s1 Show InChI InChI=1S/C13H9BrN2S/c14-9-3-6-11-12(7-9)17-13(16-11)8-1-4-10(15)5-2-8/h1-7H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50005118 ((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]- spiperone from dopamine receptor D2 of striatal membranes without sodium chloride				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM303156 (US10137210, Example 00023) Show SMILES Nc1ccc(cc1I)-c1nc2ccccc2s1 Show InChI InChI=1S/C13H9IN2S/c14-9-7-8(5-6-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129787 (2-(4-Methylamino-phenyl)-benzothiazole-6-carbonitr...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(cc2s1)C#N Show InChI InChI=1S/C15H11N3S/c1-17-12-5-3-11(4-6-12)15-18-13-7-2-10(9-16)8-14(13)19-15/h2-8,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129788 (2-(4-Aminophenyl)-6-methylbenzothiazole | 4-(6-Met...) Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(N)cc1 Show InChI InChI=1S/C14H12N2S/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50008786 (CHEMBL43506 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-3-...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CCF)cc(OC)c1OC Show InChI InChI=1S/C18H27FN2O4/c1-4-21-9-5-6-13(21)11-20-18(23)15-16(22)12(7-8-19)10-14(24-2)17(15)25-3/h10,13,22H,4-9,11H2,1-3H3,(H,20,23)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description binding affinity towards alpha-2 adrenergic receptor, using [3H]- atipamezole as radioligand from rat frontal cortex membranes				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50109052 ((4-Benzothiazol-2-yl-phenyl)-methyl-amine | 4-(ben...) Show SMILES CNc1ccc(cc1)-c1nc2ccccc2s1 Show InChI InChI=1S/C14H12N2S/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-9,15H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					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	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129785 (2-(4-Dimethylamino-phenyl)-benzothiazole-6-carboni...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(cc2s1)C#N Show InChI InChI=1S/C16H13N3S/c1-19(2)13-6-4-12(5-7-13)16-18-14-8-3-11(10-17)9-15(14)20-16/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50008783 (CHEMBL42448 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-3-...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CCCF)cc(OC)c1OC Show InChI InChI=1S/C19H29FN2O4/c1-4-22-10-6-8-14(22)12-21-19(24)16-17(23)13(7-5-9-20)11-15(25-2)18(16)26-3/h11,14,23H,4-10,12H2,1-3H3,(H,21,24)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the presence ...				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50109052 ((4-Benzothiazol-2-yl-phenyl)-methyl-amine | 4-(ben...) Show SMILES CNc1ccc(cc1)-c1nc2ccccc2s1 Show InChI InChI=1S/C14H12N2S/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-9,15H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM303165 (US10137210, Example 00025) Show SMILES Nc1ccc(cc1I)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C13H9IN2OS/c14-9-5-7(1-3-10(9)15)13-16-11-4-2-8(17)6-12(11)18-13/h1-6,17H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					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	US Patent	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50052701 (2-(4-Aminophenyl)-6-methoxybenzothiazole | 4-(6-Me...) Show SMILES COc1ccc2nc(sc2c1)-c1ccc(N)cc1 Show InChI InChI=1S/C14H12N2OS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50005118 ((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]- spiperone from dopamine receptor D2 of striatal membranes without sodium chloride				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50052702 (2-(4-Aminophenyl)benzothiazole | 4-Benzothiazol-2-...) Show SMILES Nc1ccc(cc1)-c1nc2ccccc2s1 Show InChI InChI=1S/C13H10N2S/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50052710 (2-(4-Amino-phenyl)-benzothiazol-6-ol | CHEMBL93884) Show SMILES Nc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C13H10N2OS/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(16)7-12(11)17-13/h1-7,16H,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129789 (2-(4-Amino-phenyl)-benzothiazole-6-carbonitrile | ...) Show SMILES Nc1ccc(cc1)-c1nc2ccc(cc2s1)C#N Show InChI InChI=1S/C14H9N3S/c15-8-9-1-6-12-13(7-9)18-14(17-12)10-2-4-11(16)5-3-10/h1-7H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair

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