Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'yi' and Initial = 'ej'   

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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286099 (N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...) Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 Show InChI InChI=1S/C15H21N5O2S/c1-3-23(21,22)20-8-12(15(9-20)5-6-15)19(2)14-11-4-7-16-13(11)17-10-18-14/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286098 ((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...) Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286095 ((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286098 ((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...) Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.7	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286096 (3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...) Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29.3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286096 (3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...) Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40.4	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286098 ((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...) Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58.6	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286098 ((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...) Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286096 (3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...) Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286099 (N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...) Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 Show InChI InChI=1S/C15H21N5O2S/c1-3-23(21,22)20-8-12(15(9-20)5-6-15)19(2)14-11-4-7-16-13(11)17-10-18-14/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,16,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286095 ((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	252	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286095 ((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	412	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286099 (N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...) Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 Show InChI InChI=1S/C15H21N5O2S/c1-3-23(21,22)20-8-12(15(9-20)5-6-15)19(2)14-11-4-7-16-13(11)17-10-18-14/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	422	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286096 (3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...) Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	694	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286097 ((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	787	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286097 ((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286097 ((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286097 ((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286099 (N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...) Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 Show InChI InChI=1S/C15H21N5O2S/c1-3-23(21,22)20-8-12(15(9-20)5-6-15)19(2)14-11-4-7-16-13(11)17-10-18-14/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286095 ((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397111 (N-(1-azabicyclo[2.2.2]octan-3-yl)-6-oxo-1-(2-thiaz...) Show SMILES O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1nccs1 |(1.18,1.92,;1.18,.38,;2.52,-.39,;3.85,.38,;3.85,1.93,;5.19,2.7,;6.52,1.93,;6.52,.38,;5.19,-.39,;5.9,.96,;4.42,1.36,;-.15,-.39,;-.15,-1.93,;-1.48,-2.7,;-2.82,-1.93,;-4.15,-2.7,;-2.82,-.39,;-1.48,.38,;-4.15,.38,;-5.61,-.09,;-6.52,1.15,;-5.61,2.4,;-4.15,1.92,)| Show InChI InChI=1S/C16H18N4O2S/c21-14-2-1-12(9-20(14)16-17-5-8-23-16)15(22)18-13-10-19-6-3-11(13)4-7-19/h1-2,5,8-9,11,13H,3-4,6-7,10H2,(H,18,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397112 (N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl)-6-oxo-1-(2-...) Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc(=O)n(c1)-c1nccs1 |r,wU:3.2,(1.18,1.92,;1.18,.38,;2.52,-.39,;3.85,.38,;3.85,1.93,;5.19,2.7,;6.52,1.93,;6.52,.38,;5.19,-.39,;5.9,.96,;4.42,1.36,;-.15,-.39,;-.15,-1.93,;-1.48,-2.7,;-2.82,-1.93,;-4.15,-2.7,;-2.82,-.39,;-1.48,.38,;-4.15,.38,;-4.15,1.92,;-5.61,2.4,;-6.52,1.15,;-5.61,-.09,)| Show InChI InChI=1S/C16H18N4O2S/c21-14-2-1-12(9-20(14)16-17-5-8-23-16)15(22)18-13-10-19-6-3-11(13)4-7-19/h1-2,5,8-9,11,13H,3-4,6-7,10H2,(H,18,22)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397113 (N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl)-6-oxo-1-(2-...) Show SMILES O=C(N[C@@H]1CN2CCC1CC2)c1ccc(=O)n(c1)-c1nccs1 |r,wD:3.2,(1.18,1.92,;1.18,.38,;2.52,-.39,;3.85,.38,;3.85,1.93,;5.19,2.7,;6.52,1.93,;6.52,.38,;5.19,-.39,;5.9,.96,;4.42,1.36,;-.15,-.39,;-.15,-1.93,;-1.48,-2.7,;-2.82,-1.93,;-4.15,-2.7,;-2.82,-.39,;-1.48,.38,;-4.15,.38,;-4.15,1.92,;-5.61,2.4,;-6.52,1.15,;-5.61,-.09,)| Show InChI InChI=1S/C16H18N4O2S/c21-14-2-1-12(9-20(14)16-17-5-8-23-16)15(22)18-13-10-19-6-3-11(13)4-7-19/h1-2,5,8-9,11,13H,3-4,6-7,10H2,(H,18,22)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397114 (N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(5-chloro-2-py...) Show SMILES Clc1ccc(nc1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.34,2.7,;-6,1.92,;-4.67,2.69,;-3.33,1.92,;-3.33,.38,;-4.67,-.39,;-6,.38,;-2,-.39,;-.67,.38,;.67,-.39,;.67,-1.93,;-.67,-2.7,;-2,-1.93,;-3.33,-2.7,;2,.38,;2,1.92,;3.33,-.39,;4.67,.38,;4.67,1.93,;6,2.7,;7.34,1.93,;7.34,.38,;6,-.39,;6.72,1.36,;5.23,1.36,)| Show InChI InChI=1S/C18H19ClN4O2/c19-14-2-3-16(20-9-14)23-10-13(1-4-17(23)24)18(25)21-15-11-22-7-5-12(15)6-8-22/h1-4,9-10,12,15H,5-8,11H2,(H,21,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397115 (N-(1-azabicyclo[2.2.2]octan-3-yl)-6-oxo-1-(5-pheny...) Show SMILES O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1ccc(cn1)-c1ccccc1 |(3.33,.77,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;8.67,.77,;8.67,-.77,;7.34,-1.54,;8.05,.2,;6.57,.21,;2,-1.54,;2,-3.08,;.67,-3.85,;-.67,-3.08,;-2,-3.85,;-.67,-1.54,;.67,-.77,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-4.67,-.77,;-3.33,-1.54,;-6,1.54,;-6,3.08,;-7.34,3.85,;-8.67,3.08,;-8.67,1.54,;-7.34,.77,)| Show InChI InChI=1S/C24H24N4O2/c29-23-9-7-20(24(30)26-21-16-27-12-10-18(21)11-13-27)15-28(23)22-8-6-19(14-25-22)17-4-2-1-3-5-17/h1-9,14-15,18,21H,10-13,16H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397116 (N-(1-azabicyclo[2.2.2]octan-3-yl)-6-oxo-1-[3-pheny...) Show SMILES O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1cc(no1)-c1ccccc1 |(3.49,1.92,;3.49,.38,;4.83,-.39,;6.16,.38,;6.16,1.93,;7.5,2.7,;8.83,1.93,;8.83,.38,;7.5,-.39,;8.21,.96,;6.73,1.36,;2.16,-.39,;2.16,-1.93,;.83,-2.7,;-.51,-1.93,;-1.84,-2.7,;-.51,-.39,;.83,.38,;-1.84,.38,;-3.3,-.09,;-4.21,1.15,;-3.3,2.4,;-1.84,1.92,;-5.75,1.15,;-6.52,2.49,;-8.06,2.49,;-8.83,1.15,;-8.06,-.18,;-6.52,-.18,)| Show InChI InChI=1S/C22H22N4O3/c27-20-7-6-17(22(28)23-19-14-25-10-8-16(19)9-11-25)13-26(20)21-12-18(24-29-21)15-4-2-1-3-5-15/h1-7,12-13,16,19H,8-11,14H2,(H,23,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397117 (N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(5-methyl-2-th...) Show SMILES Cc1cnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.92,;-3.38,.38,;-4.84,-.09,;-2.05,-.39,;-.71,.38,;.62,-.39,;.62,-1.93,;-.71,-2.7,;-2.05,-1.93,;-3.38,-2.7,;1.95,.38,;1.95,1.92,;3.29,-.39,;4.62,.38,;4.62,1.93,;5.96,2.7,;7.29,1.93,;7.29,.38,;5.96,-.39,;6.67,1.36,;5.19,1.36,)| Show InChI InChI=1S/C17H20N4O2S/c1-11-8-18-17(24-11)21-9-13(2-3-15(21)22)16(23)19-14-10-20-6-4-12(14)5-7-20/h2-3,8-9,12,14H,4-7,10H2,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397118 (N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-(5-methyl...) Show SMILES Cc1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:16.17,(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.92,;-3.38,.38,;-4.84,-.09,;-2.05,-.39,;-.71,.38,;.62,-.39,;.62,-1.93,;-.71,-2.7,;-2.05,-1.93,;-3.38,-2.7,;1.95,.38,;1.95,1.92,;3.29,-.39,;4.62,.38,;4.62,1.93,;5.96,2.7,;7.29,1.93,;7.29,.38,;5.96,-.39,;6.67,1.36,;5.19,1.36,)| Show InChI InChI=1S/C17H20N4O2S/c1-11-8-18-17(24-11)21-9-13(2-3-15(21)22)16(23)19-14-10-20-6-4-12(14)5-7-20/h2-3,8-9,12,14H,4-7,10H2,1H3,(H,19,23)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397119 (N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(5-methyl...) Show SMILES Cc1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:16.17,(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.92,;-3.38,.38,;-4.84,-.09,;-2.05,-.39,;-.71,.38,;.62,-.39,;.62,-1.93,;-.71,-2.7,;-2.05,-1.93,;-3.38,-2.7,;1.95,.38,;1.95,1.92,;3.29,-.39,;4.62,.38,;4.62,1.93,;5.96,2.7,;7.29,1.93,;7.29,.38,;5.96,-.39,;6.67,1.36,;5.19,1.36,)| Show InChI InChI=1S/C17H20N4O2S/c1-11-8-18-17(24-11)21-9-13(2-3-15(21)22)16(23)19-14-10-20-6-4-12(14)5-7-20/h2-3,8-9,12,14H,4-7,10H2,1H3,(H,19,23)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397120 (N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(5-ethyl-2-thi...) Show SMILES CCc1cnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.67,2.49,;-6.9,1.15,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)| Show InChI InChI=1S/C18H22N4O2S/c1-2-14-9-19-18(25-14)22-10-13(3-4-16(22)23)17(24)20-15-11-21-7-5-12(15)6-8-21/h3-4,9-10,12,15H,2,5-8,11H2,1H3,(H,20,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397121 (N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-(5-ethyl-...) Show SMILES CCc1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:17.18,(-7.67,2.49,;-6.9,1.15,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)| Show InChI InChI=1S/C18H22N4O2S/c1-2-14-9-19-18(25-14)22-10-13(3-4-16(22)23)17(24)20-15-11-21-7-5-12(15)6-8-21/h3-4,9-10,12,15H,2,5-8,11H2,1H3,(H,20,24)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397122 (N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(5-ethyl-...) Show SMILES CCc1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:17.18,(-7.67,2.49,;-6.9,1.15,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)| Show InChI InChI=1S/C18H22N4O2S/c1-2-14-9-19-18(25-14)22-10-13(3-4-16(22)23)17(24)20-15-11-21-7-5-12(15)6-8-21/h3-4,9-10,12,15H,2,5-8,11H2,1H3,(H,20,24)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397123 (N-(1-azabicyclo[2.2.2]octan-3-yl)-6-oxo-1-(5-propy...) Show SMILES CCCc1cnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-8.44,2.49,;-6.9,2.49,;-6.13,1.15,;-4.59,1.15,;-3.69,2.4,;-2.22,1.92,;-2.22,.38,;-3.69,-.09,;-.89,-.39,;.44,.38,;1.78,-.39,;1.78,-1.93,;.44,-2.7,;-.89,-1.93,;-2.22,-2.7,;3.11,.38,;3.11,1.92,;4.44,-.39,;5.78,.38,;5.78,1.93,;7.11,2.7,;8.44,1.93,;8.44,.38,;7.11,-.39,;7.83,.96,;6.34,1.36,)| Show InChI InChI=1S/C19H24N4O2S/c1-2-3-15-10-20-19(26-15)23-11-14(4-5-17(23)24)18(25)21-16-12-22-8-6-13(16)7-9-22/h4-5,10-11,13,16H,2-3,6-9,12H2,1H3,(H,21,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397124 (N-(1-azabicyclo[2.2.2]octan-3-yl)-6-oxo-1-(5-propa...) Show SMILES CC(C)c1cnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.67,2.49,;-6.9,1.15,;-7.67,-.18,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)| Show InChI InChI=1S/C19H24N4O2S/c1-12(2)16-9-20-19(26-16)23-10-14(3-4-17(23)24)18(25)21-15-11-22-7-5-13(15)6-8-22/h3-4,9-10,12-13,15H,5-8,11H2,1-2H3,(H,21,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397125 (N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl)-6-oxo-1-(5-...) Show SMILES CC(C)c1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:18.19,(-7.67,2.49,;-6.9,1.15,;-7.67,-.18,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,1.36,;5.57,1.36,)| Show InChI InChI=1S/C19H24N4O2S/c1-12(2)16-9-20-19(26-16)23-10-14(3-4-17(23)24)18(25)21-15-11-22-7-5-13(15)6-8-22/h3-4,9-10,12-13,15H,5-8,11H2,1-2H3,(H,21,25)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397126 (N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl)-6-oxo-1-(5-...) Show SMILES CC(C)c1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:18.19,(-7.67,2.49,;-6.9,1.15,;-7.67,-.18,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)| Show InChI InChI=1S/C19H24N4O2S/c1-12(2)16-9-20-19(26-16)23-10-14(3-4-17(23)24)18(25)21-15-11-22-7-5-13(15)6-8-22/h3-4,9-10,12-13,15H,5-8,11H2,1-2H3,(H,21,25)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397127 (N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(5-tert-butyl-...) Show SMILES CC(C)(C)c1cnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.67,2.49,;-6.9,1.15,;-7.67,-.18,;-6.13,2.49,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)| Show InChI InChI=1S/C20H26N4O2S/c1-20(2,3)16-10-21-19(27-16)24-11-14(4-5-17(24)25)18(26)22-15-12-23-8-6-13(15)7-9-23/h4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397128 (N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[5-tert-b...) Show SMILES CC(C)(C)c1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:19.20,(-7.67,2.49,;-6.9,1.15,;-7.67,-.18,;-6.13,2.49,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)| Show InChI InChI=1S/C20H26N4O2S/c1-20(2,3)16-10-21-19(27-16)24-11-14(4-5-17(24)25)18(26)22-15-12-23-8-6-13(15)7-9-23/h4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,22,26)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397129 (N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[5-tert-b...) Show SMILES CC(C)(C)c1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:19.20,(-7.67,2.49,;-6.9,1.15,;-7.67,-.18,;-6.13,2.49,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)| Show InChI InChI=1S/C20H26N4O2S/c1-20(2,3)16-10-21-19(27-16)24-11-14(4-5-17(24)25)18(26)22-15-12-23-8-6-13(15)7-9-23/h4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,22,26)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397130 (N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(5-cyclopentyl...) Show SMILES O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1ncc(s1)C1CCCC1 |(3.14,1.92,;3.14,.38,;4.47,-.39,;5.81,.38,;5.81,1.93,;7.14,2.7,;8.47,1.93,;8.47,.38,;7.14,-.39,;7.86,.96,;6.37,1.36,;1.81,-.39,;1.81,-1.93,;.47,-2.7,;-.86,-1.93,;-2.19,-2.7,;-.86,-.39,;.47,.38,;-2.19,.38,;-2.19,1.92,;-3.66,2.4,;-4.56,1.15,;-3.66,-.09,;-6.1,1.15,;-7.01,2.4,;-8.47,1.92,;-8.47,.38,;-7.01,-.09,)| Show InChI InChI=1S/C21H26N4O2S/c26-19-6-5-16(20(27)23-17-13-24-9-7-14(17)8-10-24)12-25(19)21-22-11-18(28-21)15-3-1-2-4-15/h5-6,11-12,14-15,17H,1-4,7-10,13H2,(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397131 (N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(5-cyclohexyl-...) Show SMILES O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1ncc(s1)C1CCCCC1 |(3.49,1.92,;3.49,.38,;4.83,-.39,;6.16,.38,;6.16,1.93,;7.5,2.7,;8.83,1.93,;8.83,.38,;7.5,-.39,;8.21,.96,;6.73,1.36,;2.16,-.39,;2.16,-1.93,;.83,-2.7,;-.51,-1.93,;-1.84,-2.7,;-.51,-.39,;.83,.38,;-1.84,.38,;-1.84,1.92,;-3.3,2.4,;-4.21,1.15,;-3.3,-.09,;-5.75,1.15,;-6.52,2.49,;-8.06,2.49,;-8.83,1.15,;-8.06,-.18,;-6.52,-.18,)| Show InChI InChI=1S/C22H28N4O2S/c27-20-7-6-17(21(28)24-18-14-25-10-8-15(18)9-11-25)13-26(20)22-23-12-19(29-22)16-4-2-1-3-5-16/h6-7,12-13,15-16,18H,1-5,8-11,14H2,(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397132 (N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(5-phenyl-2-th...) Show SMILES O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1ncc(s1)-c1ccccc1 |(3.49,1.92,;3.49,.38,;4.83,-.39,;6.16,.38,;6.16,1.93,;7.5,2.7,;8.83,1.93,;8.83,.38,;7.5,-.39,;8.21,1.36,;6.73,1.36,;2.16,-.39,;2.16,-1.93,;.83,-2.7,;-.51,-1.93,;-1.84,-2.7,;-.51,-.39,;.83,.38,;-1.84,.38,;-1.84,1.92,;-3.3,2.4,;-4.21,1.15,;-3.3,-.09,;-5.75,1.15,;-6.52,2.49,;-8.06,2.49,;-8.83,1.15,;-8.06,-.18,;-6.52,-.18,)| Show InChI InChI=1S/C22H22N4O2S/c27-20-7-6-17(21(28)24-18-14-25-10-8-15(18)9-11-25)13-26(20)22-23-12-19(29-22)16-4-2-1-3-5-16/h1-7,12-13,15,18H,8-11,14H2,(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397133 (N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(5-chloro-2-th...) Show SMILES Clc1cnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.92,;-3.38,.38,;-4.84,-.09,;-2.05,-.39,;-.71,.38,;.62,-.39,;.62,-1.93,;-.71,-2.7,;-2.05,-1.93,;-3.38,-2.7,;1.95,.38,;1.95,1.92,;3.29,-.39,;4.62,.38,;4.62,1.93,;5.96,2.7,;7.29,1.93,;7.29,.38,;5.96,-.39,;6.67,.96,;5.19,1.36,)| Show InChI InChI=1S/C16H17ClN4O2S/c17-13-7-18-16(24-13)21-8-11(1-2-14(21)22)15(23)19-12-9-20-5-3-10(12)4-6-20/h1-2,7-8,10,12H,3-6,9H2,(H,19,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397134 (N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-(5-chloro...) Show SMILES Clc1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:16.17,(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.92,;-3.38,.38,;-4.84,-.09,;-2.05,-.39,;-.71,.38,;.62,-.39,;.62,-1.93,;-.71,-2.7,;-2.05,-1.93,;-3.38,-2.7,;1.95,.38,;1.95,1.92,;3.29,-.39,;4.62,.38,;4.62,1.93,;5.96,2.7,;7.29,1.93,;7.29,.38,;5.96,-.39,;6.67,1.36,;5.19,1.36,)| Show InChI InChI=1S/C16H17ClN4O2S/c17-13-7-18-16(24-13)21-8-11(1-2-14(21)22)15(23)19-12-9-20-5-3-10(12)4-6-20/h1-2,7-8,10,12H,3-6,9H2,(H,19,23)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397135 (N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(5-chloro...) Show SMILES Clc1cnc(s1)-n1cc(ccc1=O)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:16.17,(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.92,;-3.38,.38,;-4.84,-.09,;-2.05,-.39,;-.71,.38,;.62,-.39,;.62,-1.93,;-.71,-2.7,;-2.05,-1.93,;-3.38,-2.7,;1.95,.38,;1.95,1.92,;3.29,-.39,;4.62,.38,;4.62,1.93,;5.96,2.7,;7.29,1.93,;7.29,.38,;5.96,-.39,;6.67,1.36,;5.19,1.36,)| Show InChI InChI=1S/C16H17ClN4O2S/c17-13-7-18-16(24-13)21-8-11(1-2-14(21)22)15(23)19-12-9-20-5-3-10(12)4-6-20/h1-2,7-8,10,12H,3-6,9H2,(H,19,23)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397136 (N-(1-azabicyclo[2.2.2]octan-3-yl)-6-oxo-1-[5-(phen...) Show SMILES O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1ncc(Cc2ccccc2)s1 |(3.49,.69,;3.49,-.85,;4.83,-1.62,;6.16,-.85,;6.16,.69,;7.5,1.46,;8.83,.69,;8.83,-.85,;7.5,-1.62,;8.21,-.27,;6.73,.13,;2.16,-1.62,;2.16,-3.16,;.83,-3.93,;-.51,-3.16,;-1.84,-3.93,;-.51,-1.62,;.83,-.85,;-1.84,-.85,;-1.84,.69,;-3.3,1.17,;-4.21,-.08,;-5.75,-.08,;-6.52,1.26,;-5.75,2.59,;-6.52,3.93,;-8.06,3.93,;-8.83,2.59,;-8.06,1.26,;-3.3,-1.32,)| Show InChI InChI=1S/C23H24N4O2S/c28-21-7-6-18(22(29)25-20-15-26-10-8-17(20)9-11-26)14-27(21)23-24-13-19(30-23)12-16-4-2-1-3-5-16/h1-7,13-14,17,20H,8-12,15H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397137 (N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-methyl-2-th...) Show SMILES Cc1csc(n1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-6.38,3.21,;-5.61,1.88,;-6.52,.64,;-5.61,-.61,;-4.15,-.13,;-4.15,1.41,;-2.82,-.9,;-1.48,-.13,;-.15,-.9,;-.15,-2.44,;-1.48,-3.21,;-2.82,-2.44,;-4.15,-3.21,;1.18,-.13,;1.18,1.41,;2.52,-.9,;3.85,-.13,;3.85,1.41,;5.19,2.18,;6.52,1.41,;6.52,-.13,;5.19,-.9,;5.9,.84,;4.42,.84,)| Show InChI InChI=1S/C17H20N4O2S/c1-11-10-24-17(18-11)21-8-13(2-3-15(21)22)16(23)19-14-9-20-6-4-12(14)5-7-20/h2-3,8,10,12,14H,4-7,9H2,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397138 (N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(1,3-benzothia...) Show SMILES O=C(NC1CN2CCC1CC2)c1ccc(=O)n(c1)-c1nc2ccccc2s1 |(2.37,1.49,;2.37,-.05,;3.71,-.82,;5.04,-.05,;5.04,1.49,;6.37,2.26,;7.71,1.49,;7.71,-.05,;6.37,-.82,;7.14,.51,;5.6,.92,;1.04,-.82,;1.04,-2.36,;-.29,-3.13,;-1.63,-2.36,;-2.96,-3.13,;-1.63,-.82,;-.29,-.05,;-2.96,-.05,;-3.12,1.48,;-4.63,1.8,;-5.4,3.13,;-6.94,3.13,;-7.71,1.8,;-6.94,.47,;-5.4,.47,;-4.37,-.68,)| Show InChI InChI=1S/C20H20N4O2S/c25-18-6-5-14(19(26)21-16-12-23-9-7-13(16)8-10-23)11-24(18)20-22-15-3-1-2-4-17(15)27-20/h1-6,11,13,16H,7-10,12H2,(H,21,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397139 (N-(1-azabicyclo[2.2.2]octan-3-yl)-1-[5-methyl-1,3,...) Show SMILES Cc1nnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.93,;-3.38,.38,;-4.84,-.09,;-2.05,-.38,;-.71,.38,;.62,-.38,;.62,-1.93,;-.71,-2.69,;-2.05,-1.93,;-3.38,-2.69,;1.95,.38,;1.95,1.93,;3.29,-.38,;4.62,.38,;4.62,1.93,;5.96,2.69,;7.29,1.93,;7.29,.38,;5.96,-.38,;6.73,.95,;5.19,1.36,)| Show InChI InChI=1S/C16H19N5O2S/c1-10-18-19-16(24-10)21-8-12(2-3-14(21)22)15(23)17-13-9-20-6-4-11(13)5-7-20/h2-3,8,11,13H,4-7,9H2,1H3,(H,17,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397140 ((1-azabicyclo[2.2.2]octan-3-yl)-1-[5-methyl-1,3-th...) Show SMILES Cc1cnc(s1)-n1cc(ccc1=O)C(=O)OC1CN2CCC1CC2 |(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.93,;-3.38,.38,;-4.84,-.09,;-2.05,-.38,;-.71,.38,;.62,-.38,;.62,-1.93,;-.71,-2.69,;-2.05,-1.93,;-3.38,-2.69,;1.95,.38,;1.95,1.93,;3.29,-.38,;4.62,.38,;4.62,1.93,;5.96,2.69,;7.29,1.93,;7.29,.38,;5.96,-.38,;6.73,.95,;5.19,1.36,)| Show InChI InChI=1S/C17H19N3O3S/c1-11-8-18-17(24-11)20-9-13(2-3-15(20)21)16(22)23-14-10-19-6-4-12(14)5-7-19/h2-3,8-9,12,14H,4-7,10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair

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