Compile Data Set for Download or QSAR

Found 1110 hits with Last Name = 'blass' and Initial = 'b'   

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 (Homo sapiens (Human))	BDBM50339685 (4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)pheny...) Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C27H32FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-2,5-11,20-21H,3-4,12-19H2,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512803 (CHEMBL4567895) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H31N3O2S/c1-31-25-7-3-2-6-24(25)29-17-15-28(16-18-29)14-5-4-13-27-26(30)22-10-8-21(9-11-22)23-12-19-32-20-23/h2-3,6-12,19-20H,4-5,13-18H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512799 (CHEMBL4571568) Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1C#N)c1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C26H28N4OS/c27-19-23-5-1-2-6-25(23)30-16-14-29(15-17-30)13-4-3-12-28-26(31)22-9-7-21(8-10-22)24-11-18-32-20-24/h1-2,5-11,18,20H,3-4,12-17H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512801 (CHEMBL4590192) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H28F3N3OS/c27-26(28,29)23-4-3-5-24(18-23)32-15-13-31(14-16-32)12-2-1-11-30-25(33)21-8-6-20(7-9-21)22-10-17-34-19-22/h3-10,17-19H,1-2,11-16H2,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512789 (CHEMBL4583609) Show SMILES Clc1cc(Cl)cc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-15-23(27)17-24(16-22)30-12-10-29(11-13-30)9-2-1-8-28-25(31)20-5-3-19(4-6-20)21-7-14-32-18-21/h3-7,14-18H,1-2,8-13H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512797 (CHEMBL4579251) Show SMILES Oc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C25H29N3O2S/c29-24-5-3-4-23(18-24)28-15-13-27(14-16-28)12-2-1-11-26-25(30)21-8-6-20(7-9-21)22-10-17-31-19-22/h3-10,17-19,29H,1-2,11-16H2,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512787 (CHEMBL4437341) Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C26H28N4OS/c27-19-21-4-3-5-25(18-21)30-15-13-29(14-16-30)12-2-1-11-28-26(31)23-8-6-22(7-9-23)24-10-17-32-20-24/h3-10,17-18,20H,1-2,11-16H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50271165 (CHEMBL4128375) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2nccc3cc(Br)cnc23)ccc1F |r| Show InChI InChI=1S/C22H20BrFN6O3S/c1-30-21(25)29-22(7-2-3-17(22)34(30,32)33)15-10-14(4-5-16(15)24)28-20(31)19-18-12(6-8-26-19)9-13(23)11-27-18/h4-6,8-11,17H,2-3,7H2,1H3,(H2,25,29)(H,28,31)/t17-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human autoBACE2 using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins ...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512794 (CHEMBL4450777) Show SMILES Clc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C25H28ClN3OS/c26-23-5-1-2-6-24(23)29-16-14-28(15-17-29)13-4-3-12-27-25(30)21-9-7-20(8-10-21)22-11-18-31-19-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512805 (CHEMBL4587635) Show SMILES Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H31N3OS/c1-21-6-2-3-7-25(21)29-17-15-28(16-18-29)14-5-4-13-27-26(30)23-10-8-22(9-11-23)24-12-19-31-20-24/h2-3,6-12,19-20H,4-5,13-18H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512802 (CHEMBL4535174) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccsc3)CC2)c1Cl Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-4-3-5-23(24(22)27)30-15-13-29(14-16-30)12-2-1-11-28-25(31)20-8-6-19(7-9-20)21-10-17-32-18-21/h3-10,17-18H,1-2,11-16H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50271175 (CHEMBL4126365) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r| Show InChI InChI=1S/C19H18F3N5O3S/c1-27-18(23)26-19(6-2-3-15(19)31(27,29)30)12-8-11(4-5-13(12)21)25-17(28)16-14(22)7-10(20)9-24-16/h4-5,7-9,15H,2-3,6H2,1H3,(H2,23,26)(H,25,28)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human autoBACE2 using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins ...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50271172 (CHEMBL4127711) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C19H19ClFN5O3S/c1-26-18(22)25-19(8-2-3-16(19)30(26,28)29)13-9-12(5-6-14(13)21)24-17(27)15-7-4-11(20)10-23-15/h4-7,9-10,16H,2-3,8H2,1H3,(H2,22,25)(H,24,27)/t16-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human autoBACE2 using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins ...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50271168 (CHEMBL4127283) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ncc(F)cc2C)ccc1F |r| Show InChI InChI=1S/C20H21F2N5O3S/c1-11-8-12(21)10-24-17(11)18(28)25-13-5-6-15(22)14(9-13)20-7-3-4-16(20)31(29,30)27(2)19(23)26-20/h5-6,8-10,16H,3-4,7H2,1-2H3,(H2,23,26)(H,25,28)/t16-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human autoBACE2 using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins ...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50271163 (CHEMBL4129654) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r| Show InChI InChI=1S/C19H18ClF2N5O3S/c1-27-18(23)26-19(6-2-3-15(19)31(27,29)30)12-8-11(4-5-13(12)21)25-17(28)16-14(22)7-10(20)9-24-16/h4-5,7-9,15H,2-3,6H2,1H3,(H2,23,26)(H,25,28)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human autoBACE2 using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins ...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512800 (CHEMBL4476605) Show SMILES FC(F)(F)c1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H28F3N3OS/c27-26(28,29)23-5-1-2-6-24(23)32-16-14-31(15-17-32)13-4-3-12-30-25(33)21-9-7-20(8-10-21)22-11-18-34-19-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271172 (CHEMBL4127711) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C19H19ClFN5O3S/c1-26-18(22)25-19(8-2-3-16(19)30(26,28)29)13-9-12(5-6-14(13)21)24-17(27)15-7-4-11(20)10-23-15/h4-7,9-10,16H,2-3,8H2,1H3,(H2,22,25)(H,24,27)/t16-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human BACE1 catalytic domain using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured a...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50271167 (CHEMBL4127870) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(C)cn2)ccc1F |r| Show InChI InChI=1S/C20H22FN5O3S/c1-12-5-8-16(23-11-12)18(27)24-13-6-7-15(21)14(10-13)20-9-3-4-17(20)30(28,29)26(2)19(22)25-20/h5-8,10-11,17H,3-4,9H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human autoBACE2 using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins ...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50271173 (CHEMBL4129113) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r| Show InChI InChI=1S/C20H19FN6O3S/c1-27-19(23)26-20(8-2-3-17(20)31(27,29)30)14-9-13(5-6-15(14)21)25-18(28)16-7-4-12(10-22)11-24-16/h4-7,9,11,17H,2-3,8H2,1H3,(H2,23,26)(H,25,28)/t17-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human autoBACE2 using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins ...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512795 (CHEMBL4438037) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccsc3)CC2)c(Cl)c1 Show InChI InChI=1S/C25H27Cl2N3OS/c26-22-7-8-24(23(27)17-22)30-14-12-29(13-15-30)11-2-1-10-28-25(31)20-5-3-19(4-6-20)21-9-16-32-18-21/h3-9,16-18H,1-2,10-15H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271163 (CHEMBL4129654) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r| Show InChI InChI=1S/C19H18ClF2N5O3S/c1-27-18(23)26-19(6-2-3-15(19)31(27,29)30)12-8-11(4-5-13(12)21)25-17(28)16-14(22)7-10(20)9-24-16/h4-5,7-9,15H,2-3,6H2,1H3,(H2,23,26)(H,25,28)/t15-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human BACE1 catalytic domain using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured a...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271166 (CHEMBL4130055) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r| Show InChI InChI=1S/C20H20F3N5O4S/c1-28-19(24)27-20(8-2-3-16(20)33(28,30)31)13-9-11(4-6-14(13)21)26-17(29)15-7-5-12(10-25-15)32-18(22)23/h4-7,9-10,16,18H,2-3,8H2,1H3,(H2,24,27)(H,26,29)/t16-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human BACE1 catalytic domain using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured a...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271165 (CHEMBL4128375) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2nccc3cc(Br)cnc23)ccc1F |r| Show InChI InChI=1S/C22H20BrFN6O3S/c1-30-21(25)29-22(7-2-3-17(22)34(30,32)33)15-10-14(4-5-16(15)24)28-20(31)19-18-12(6-8-26-19)9-13(23)11-27-18/h4-6,8-11,17H,2-3,7H2,1H3,(H2,25,29)(H,28,31)/t17-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human BACE1 catalytic domain using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured a...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271173 (CHEMBL4129113) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r| Show InChI InChI=1S/C20H19FN6O3S/c1-27-19(23)26-20(8-2-3-17(20)31(27,29)30)14-9-13(5-6-15(14)21)25-18(28)16-7-4-12(10-22)11-24-16/h4-7,9,11,17H,2-3,8H2,1H3,(H2,23,26)(H,25,28)/t17-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human BACE1 catalytic domain using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured a...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50271171 (CHEMBL4125904) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ncc(OC)nc2C)ccc1F |r| Show InChI InChI=1S/C20H23FN6O4S/c1-11-17(23-10-16(24-11)31-3)18(28)25-12-6-7-14(21)13(9-12)20-8-4-5-15(20)32(29,30)27(2)19(22)26-20/h6-7,9-10,15H,4-5,8H2,1-3H3,(H2,22,26)(H,25,28)/t15-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human autoBACE2 using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins ...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50271166 (CHEMBL4130055) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r| Show InChI InChI=1S/C20H20F3N5O4S/c1-28-19(24)27-20(8-2-3-16(20)33(28,30)31)13-9-11(4-6-14(13)21)26-17(29)15-7-5-12(10-25-15)32-18(22)23/h4-7,9-10,16,18H,2-3,8H2,1H3,(H2,24,27)(H,26,29)/t16-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human autoBACE2 using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins ...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512793 (CHEMBL4586531) Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C25H29N3OS/c29-25(22-10-8-21(9-11-22)23-12-19-30-20-23)26-13-4-5-14-27-15-17-28(18-16-27)24-6-2-1-3-7-24/h1-3,6-12,19-20H,4-5,13-18H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512790 (CHEMBL4446350) Show SMILES Clc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C25H28ClN3OS/c26-23-4-3-5-24(18-23)29-15-13-28(14-16-29)12-2-1-11-27-25(30)21-8-6-20(7-9-21)22-10-17-31-19-22/h3-10,17-19H,1-2,11-16H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50271170 (CHEMBL4127138) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2nccc3nc(OC)cnc23)ccc1F |r| Show InChI InChI=1S/C22H22FN7O4S/c1-30-21(24)29-22(8-3-4-16(22)35(30,32)33)13-10-12(5-6-14(13)23)27-20(31)19-18-15(7-9-25-19)28-17(34-2)11-26-18/h5-7,9-11,16H,3-4,8H2,1-2H3,(H2,24,29)(H,27,31)/t16-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human autoBACE2 using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins ...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271168 (CHEMBL4127283) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ncc(F)cc2C)ccc1F |r| Show InChI InChI=1S/C20H21F2N5O3S/c1-11-8-12(21)10-24-17(11)18(28)25-13-5-6-15(22)14(9-13)20-7-3-4-16(20)31(29,30)27(2)19(23)26-20/h5-6,8-10,16H,3-4,7H2,1-2H3,(H2,23,26)(H,25,28)/t16-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human BACE1 catalytic domain using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured a...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50271164 (CHEMBL4128525) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2nccc3cc(OC)cnc23)ccc1F |r| Show InChI InChI=1S/C23H23FN6O4S/c1-30-22(25)29-23(8-3-4-18(23)35(30,32)33)16-11-14(5-6-17(16)24)28-21(31)20-19-13(7-9-26-20)10-15(34-2)12-27-19/h5-7,9-12,18H,3-4,8H2,1-2H3,(H2,25,29)(H,28,31)/t18-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human autoBACE2 using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins ...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512810 (CHEMBL4565997) Show SMILES Oc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C25H29N3O2S/c29-24-9-7-23(8-10-24)28-16-14-27(15-17-28)13-2-1-12-26-25(30)21-5-3-20(4-6-21)22-11-18-31-19-22/h3-11,18-19,29H,1-2,12-17H2,(H,26,30)	PDB UniProtKB/SwissProt 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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50512808 (CHEMBL4438361) Show SMILES CCCCN1CCN(CC1)c1ccccc1OCCF Show InChI InChI=1S/C16H25FN2O/c1-2-3-9-18-10-12-19(13-11-18)15-6-4-5-7-16(15)20-14-8-17/h4-7H,2-3,8-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50271174 (CHEMBL4126480) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2cnc(C)cn2)ccc1F |r| Show InChI InChI=1S/C19H21FN6O3S/c1-11-9-23-15(10-22-11)17(27)24-12-5-6-14(20)13(8-12)19-7-3-4-16(19)30(28,29)26(2)18(21)25-19/h5-6,8-10,16H,3-4,7H2,1-2H3,(H2,21,25)(H,24,27)/t16-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human autoBACE2 using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins ...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512804 (CHEMBL4459381) Show SMILES Oc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C25H29N3O2S/c29-24-6-2-1-5-23(24)28-16-14-27(15-17-28)13-4-3-12-26-25(30)21-9-7-20(8-10-21)22-11-18-31-19-22/h1-2,5-11,18-19,29H,3-4,12-17H2,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512796 (CHEMBL4570430) Show SMILES COc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H31N3O2S/c1-31-25-6-4-5-24(19-25)29-16-14-28(15-17-29)13-3-2-12-27-26(30)22-9-7-21(8-10-22)23-11-18-32-20-23/h4-11,18-20H,2-3,12-17H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50393023 (CHEMBL2152688) Show SMILES CS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C24H22FN5O4S/c1-35(32,33)30-22(13-18-14-26-15-27-18)24(31)29-23-4-2-3-21(28-23)16-5-9-19(10-6-16)34-20-11-7-17(25)8-12-20/h2-12,14-15,22,30H,13H2,1H3,(H,26,27)(H,28,29,31)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Blockade of Nav1.7 by electrophysiological patch clamp assay				ACS Med Chem Lett 3: 695-696 (2012) Article DOI: 10.1021/ml300194f BindingDB Entry DOI: 10.7270/Q2J967G4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512791 (CHEMBL4577206) Show SMILES COc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H31N3O2S/c1-31-25-10-8-24(9-11-25)29-17-15-28(16-18-29)14-3-2-13-27-26(30)22-6-4-21(5-7-22)23-12-19-32-20-23/h4-12,19-20H,2-3,13-18H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt 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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512808 (CHEMBL4438361) Show SMILES CCCCN1CCN(CC1)c1ccccc1OCCF Show InChI InChI=1S/C16H25FN2O/c1-2-3-9-18-10-12-19(13-11-18)15-6-4-5-7-16(15)20-14-8-17/h4-7H,2-3,8-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512788 (CHEMBL4438630) Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H31N3OS/c1-21-5-4-6-25(19-21)29-16-14-28(15-17-29)13-3-2-12-27-26(30)23-9-7-22(8-10-23)24-11-18-31-20-24/h4-11,18-20H,2-3,12-17H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271175 (CHEMBL4126365) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r| Show InChI InChI=1S/C19H18F3N5O3S/c1-27-18(23)26-19(6-2-3-15(19)31(27,29)30)12-8-11(4-5-13(12)21)25-17(28)16-14(22)7-10(20)9-24-16/h4-5,7-9,15H,2-3,6H2,1H3,(H2,23,26)(H,25,28)/t15-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human BACE1 catalytic domain using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured a...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271171 (CHEMBL4125904) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ncc(OC)nc2C)ccc1F |r| Show InChI InChI=1S/C20H23FN6O4S/c1-11-17(23-10-16(24-11)31-3)18(28)25-12-6-7-14(21)13(9-12)20-8-4-5-15(20)32(29,30)27(2)19(22)26-20/h6-7,9-10,15H,4-5,8H2,1-3H3,(H2,22,26)(H,25,28)/t15-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human BACE1 catalytic domain using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured a...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50393021 (CHEMBL2152686) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C25H22FN5O3/c1-16(32)29-23(13-19-14-27-15-28-19)25(33)31-24-4-2-3-22(30-24)17-5-9-20(10-6-17)34-21-11-7-18(26)8-12-21/h2-12,14-15,23H,13H2,1H3,(H,27,28)(H,29,32)(H,30,31,33)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA Curated by ChEMBL					Assay Description Blockade of Nav1.7 by electrophysiological patch clamp assay				ACS Med Chem Lett 3: 695-696 (2012) Article DOI: 10.1021/ml300194f BindingDB Entry DOI: 10.7270/Q2J967G4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50339685 (4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)pheny...) Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C27H32FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-2,5-11,20-21H,3-4,12-19H2,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271164 (CHEMBL4128525) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2nccc3cc(OC)cnc23)ccc1F |r| Show InChI InChI=1S/C23H23FN6O4S/c1-30-22(25)29-23(8-3-4-18(23)35(30,32)33)16-11-14(5-6-17(16)24)28-21(31)20-19-13(7-9-26-20)10-15(34-2)12-27-19/h5-7,9-12,18H,3-4,8H2,1-2H3,(H2,25,29)(H,28,31)/t18-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human BACE1 catalytic domain using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured a...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512809 (CHEMBL4442321) Show SMILES Clc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C25H28ClN3OS/c26-23-7-9-24(10-8-23)29-16-14-28(15-17-29)13-2-1-12-27-25(30)21-5-3-20(4-6-21)22-11-18-31-19-22/h3-11,18-19H,1-2,12-17H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271170 (CHEMBL4127138) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2nccc3nc(OC)cnc23)ccc1F |r| Show InChI InChI=1S/C22H22FN7O4S/c1-30-21(24)29-22(8-3-4-16(22)35(30,32)33)13-10-12(5-6-14(13)23)27-20(31)19-18-15(7-9-25-19)28-17(34-2)11-26-18/h5-7,9-11,16H,3-4,8H2,1-2H3,(H2,24,29)(H,27,31)/t16-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human BACE1 catalytic domain using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured a...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50512798 (CHEMBL4545775) Show SMILES Cc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H31N3OS/c1-21-4-10-25(11-5-21)29-17-15-28(16-18-29)14-3-2-13-27-26(30)23-8-6-22(7-9-23)24-12-19-31-20-24/h4-12,19-20H,2-3,13-18H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50512803 (CHEMBL4567895) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H31N3O2S/c1-31-25-7-3-2-6-24(25)29-17-15-28(16-18-29)14-5-4-13-27-26(30)22-10-8-21(9-11-22)23-12-19-32-20-23/h2-3,6-12,19-20H,4-5,13-18H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020 BindingDB Entry DOI: 10.7270/Q2JQ14CS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271167 (CHEMBL4127870) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(C)cn2)ccc1F |r| Show InChI InChI=1S/C20H22FN5O3S/c1-12-5-8-16(23-11-12)18(27)24-13-6-7-15(21)14(10-13)20-9-3-4-17(20)30(28,29)26(2)19(22)25-20/h5-8,10-11,17H,3-4,9H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human BACE1 catalytic domain using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured a...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair

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