Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'hanania' and Initial = 't'   

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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50049750 ((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...) Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR in human brain				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50166908 (5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...) Show SMILES C1C2CNCC1c1cc3nccnc3cc21 Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR by PDSP assay				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to alpha2beta2 nAChR by PDSP assay				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50382466 (CHEMBL2024087) Show SMILES OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C14H20N2O2/c17-4-2-10-6-14(10)11-5-13(8-15-7-11)18-9-12-1-3-16-12/h5,7-8,10,12,14,16-17H,1-4,6,9H2/t10-,12-,14-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	12.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP				J Med Chem 55: 8028-37 (2012) Article DOI: 10.1021/jm3008739 BindingDB Entry DOI: 10.7270/Q2NC62BW
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50382467 (CHEMBL2024089) Show SMILES CNC(=O)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C16H23N3O3/c1-17-16(20)21-5-3-11-7-15(11)12-6-14(9-18-8-12)22-10-13-2-4-19-13/h6,8-9,11,13,15,19H,2-5,7,10H2,1H3,(H,17,20)/t11-,13-,15-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP				J Med Chem 55: 8028-37 (2012) Article DOI: 10.1021/jm3008739 BindingDB Entry DOI: 10.7270/Q2NC62BW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50166908 (5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...) Show SMILES C1C2CNCC1c1cc3nccnc3cc21 Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to rat alpha7 nACHR at 10 uM				J Med Chem 55: 812-23 (2012) Article DOI: 10.1021/jm201301h BindingDB Entry DOI: 10.7270/Q2WW7JS7
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50049750 ((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...) Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to human alpha7 nAChR in human brain				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	496	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP				J Med Chem 55: 8028-37 (2012) Article DOI: 10.1021/jm3008739 BindingDB Entry DOI: 10.7270/Q2NC62BW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Soluble acetylcholine receptor (Aplysia Californica)	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	598	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Aplysia californica AChBP				J Med Chem 55: 8028-37 (2012) Article DOI: 10.1021/jm3008739 BindingDB Entry DOI: 10.7270/Q2NC62BW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Soluble acetylcholine receptor (Aplysia Californica)	BDBM50382466 (CHEMBL2024087) Show SMILES OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C14H20N2O2/c17-4-2-10-6-14(10)11-5-13(8-15-7-11)18-9-12-1-3-16-12/h5,7-8,10,12,14,16-17H,1-4,6,9H2/t10-,12-,14-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	979	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Aplysia californica AChBP				J Med Chem 55: 8028-37 (2012) Article DOI: 10.1021/jm3008739 BindingDB Entry DOI: 10.7270/Q2NC62BW
					More data for this Ligand-Target Pair
Soluble acetylcholine receptor (Aplysia Californica)	BDBM50382467 (CHEMBL2024089) Show SMILES CNC(=O)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C16H23N3O3/c1-17-16(20)21-5-3-11-7-15(11)12-6-14(9-18-8-12)22-10-13-2-4-19-13/h6,8-9,11,13,15,19H,2-5,7,10H2,1H3,(H,17,20)/t11-,13-,15-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Aplysia californica AChBP				J Med Chem 55: 8028-37 (2012) Article DOI: 10.1021/jm3008739 BindingDB Entry DOI: 10.7270/Q2NC62BW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50394679 (CHEMBL2165444) Show SMILES Cc1cc(OC[C@@H]2CCN2)on1 |r| Show InChI InChI=1S/C8H12N2O2/c1-6-4-8(12-10-6)11-5-7-2-3-9-7/h4,7,9H,2-3,5H2,1H3/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to rat alpha7 nACHR at 10 uM				J Med Chem 55: 812-23 (2012) Article DOI: 10.1021/jm201301h BindingDB Entry DOI: 10.7270/Q2WW7JS7
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491919 (CHEMBL2386094) Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23)C(=O)N1CCOCC1 |t:11| Show InChI InChI=1S/C28H23FN4O5/c29-17-11-16-13-33(28(36)31-7-9-37-10-8-31)6-5-32-14-20(19(12-17)25(16)32)23-24(27(35)30-26(23)34)21-15-38-22-4-2-1-3-18(21)22/h1-4,11-12,14-15H,5-10,13H2,(H,30,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0130	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491937 (CHEMBL2386090) Show SMILES O=C(N1CCn2cc(C3=C(C(=O)NC3=O)c3coc4ccccc34)c3cccc(C1)c23)c1cnccn1 |t:8| Show InChI InChI=1S/C28H19N5O4/c34-26-23(24(27(35)31-26)20-15-37-22-7-2-1-5-17(20)22)19-14-32-10-11-33(28(36)21-12-29-8-9-30-21)13-16-4-3-6-18(19)25(16)32/h1-9,12,14-15H,10-11,13H2,(H,31,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491946 (CHEMBL2386093) Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23)C(=O)N1CCC(CC1)N1CCCCC1 |t:11| Show InChI InChI=1S/C34H34FN5O4/c35-22-16-21-18-40(34(43)38-12-8-23(9-13-38)37-10-4-1-5-11-37)15-14-39-19-26(25(17-22)31(21)39)29-30(33(42)36-32(29)41)27-20-44-28-7-3-2-6-24(27)28/h2-3,6-7,16-17,19-20,23H,1,4-5,8-15,18H2,(H,36,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491944 (CHEMBL2386091) Show SMILES O=C(Cc1ccncc1)N1CCn2cc(C3=C(C(=O)NC3=O)c3coc4ccccc34)c3cccc(C1)c23 |t:16| Show InChI InChI=1S/C30H22N4O4/c35-25(14-18-8-10-31-11-9-18)33-12-13-34-16-22(21-6-3-4-19(15-33)28(21)34)26-27(30(37)32-29(26)36)23-17-38-24-7-2-1-5-20(23)24/h1-11,16-17H,12-15H2,(H,32,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491941 (CHEMBL2386272) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cnc3ccccn23)c2cc(Br)ccc12 |t:4| Show InChI InChI=1S/C20H13BrN4O2/c1-24-10-13(12-8-11(21)5-6-14(12)24)17-18(20(27)23-19(17)26)15-9-22-16-4-2-3-7-25(15)16/h2-10H,1H3,(H,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491940 (CHEMBL2386092) Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23)C(=O)N1CCCCC1 |t:11| Show InChI InChI=1S/C29H25FN4O4/c30-18-12-17-14-34(29(37)32-8-4-1-5-9-32)11-10-33-15-21(20(13-18)26(17)33)24-25(28(36)31-27(24)35)22-16-38-23-7-3-2-6-19(22)23/h2-3,6-7,12-13,15-16H,1,4-5,8-11,14H2,(H,31,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491920 (CHEMBL2386088) Show SMILES Fc1cc2CNCCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23 |t:11| Show InChI InChI=1S/C23H16FN3O3/c24-13-7-12-9-25-5-6-27-10-16(15(8-13)21(12)27)19-20(23(29)26-22(19)28)17-11-30-18-4-2-1-3-14(17)18/h1-4,7-8,10-11,25H,5-6,9H2,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50475017 (CHEMBL368248) Show SMILES O=C1NC(=O)C(=C1c1coc2ccccc12)c1cn2CCNCc3cccc1c23 |c:5| Show InChI InChI=1S/C23H17N3O3/c27-22-19(16-11-26-9-8-24-10-13-4-3-6-15(16)21(13)26)20(23(28)25-22)17-12-29-18-7-2-1-5-14(17)18/h1-7,11-12,24H,8-10H2,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491931 (CHEMBL2386096) Show SMILES OCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)ccc12 |t:6| Show InChI InChI=1S/C22H15FN2O4/c23-12-5-6-17-14(9-12)15(10-25(17)7-8-26)19-20(22(28)24-21(19)27)16-11-29-18-4-2-1-3-13(16)18/h1-6,9-11,26H,7-8H2,(H,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491924 (CHEMBL2386112) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cnc3ccccn23)c2cc3OCOc3cc12 |t:4| Show InChI InChI=1S/C21H14N4O4/c1-24-9-12(11-6-15-16(7-13(11)24)29-10-28-15)18-19(21(27)23-20(18)26)14-8-22-17-4-2-3-5-25(14)17/h2-9H,10H2,1H3,(H,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491933 (CHEMBL2386106) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)cnc12 |t:4| Show InChI InChI=1S/C20H12BrN3O3/c1-24-8-13(12-6-10(21)7-22-18(12)24)16-17(20(26)23-19(16)25)14-9-27-15-5-3-2-4-11(14)15/h2-9H,1H3,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50437504 (CHEMBL2409631) Show SMILES COCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCNC2)c1 |r| Show InChI InChI=1S/C16H24N2O2/c1-19-5-3-13-7-16(13)14-6-15(10-18-9-14)20-11-12-2-4-17-8-12/h6,9-10,12-13,16-17H,2-5,7-8,11H2,1H3/t12-,13+,16+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nACHR expressed in human SHEP1 cells assessed as inhibition of carbamylcholine-induced 86Rb+ ion efflux prei...				J Med Chem 56: 5495-504 (2014) Article DOI: 10.1021/jm400510u BindingDB Entry DOI: 10.7270/Q23J3FCH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50382472 (CHEMBL2024094) Show SMILES COCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H22N2O2/c1-18-5-3-11-7-15(11)12-6-14(9-16-8-12)19-10-13-2-4-17-13/h6,8-9,11,13,15,17H,2-5,7,10H2,1H3/t11-,13-,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nACHR expressed in human SHEP1 cells assessed as inhibition of carbamylcholine-induced 86Rb+ ion efflux prei...				J Med Chem 56: 5495-504 (2014) Article DOI: 10.1021/jm400510u BindingDB Entry DOI: 10.7270/Q23J3FCH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398321 (CHEMBL2177344) Show SMILES FC(F)C[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C14H18F2N2O/c15-14(16)5-9-4-13(9)10-3-12(7-17-6-10)19-8-11-1-2-18-11/h3,6-7,9,11,13-14,18H,1-2,4-5,8H2/t9-,11+,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at high sensitivity and low sensitivity alpha4beta2-nAChR expressed in human SH-EP1 cells assessed as inhibition of carbamylcholi...				J Med Chem 55: 8028-37 (2012) Article DOI: 10.1021/jm3008739 BindingDB Entry DOI: 10.7270/Q2NC62BW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398320 (CHEMBL2177345) Show SMILES FCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C14H19FN2O/c15-3-1-10-6-14(10)11-5-13(8-16-7-11)18-9-12-2-4-17-12/h5,7-8,10,12,14,17H,1-4,6,9H2/t10-,12-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at high sensitivity and low sensitivity alpha4beta2-nAChR expressed in human SH-EP1 cells assessed as inhibition of carbamylcholi...				J Med Chem 55: 8028-37 (2012) Article DOI: 10.1021/jm3008739 BindingDB Entry DOI: 10.7270/Q2NC62BW
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491923 (CHEMBL2386273) Show SMILES COCCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:16| Show InChI InChI=1S/C24H20N2O4/c1-26-12-17(16-8-5-6-14(22(16)26)10-11-29-2)20-21(24(28)25-23(20)27)18-13-30-19-9-4-3-7-15(18)19/h3-9,12-13H,10-11H2,1-2H3,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491936 (CHEMBL2386089) Show SMILES Brc1cc2CNCCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23 |t:11| Show InChI InChI=1S/C23H16BrN3O3/c24-13-7-12-9-25-5-6-27-10-16(15(8-13)21(12)27)19-20(23(29)26-22(19)28)17-11-30-18-4-2-1-3-14(17)18/h1-4,7-8,10-11,25H,5-6,9H2,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491939 (CHEMBL2386097) Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)ccc12 |t:7| Show InChI InChI=1S/C23H17FN2O4/c24-13-6-7-18-15(10-13)16(11-26(18)8-3-9-27)20-21(23(29)25-22(20)28)17-12-30-19-5-2-1-4-14(17)19/h1-2,4-7,10-12,27H,3,8-9H2,(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491947 (CHEMBL2386108) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C20H13N3O3/c1-23-9-13(12-6-4-8-21-18(12)23)16-17(20(25)22-19(16)24)14-10-26-15-7-3-2-5-11(14)15/h2-10H,1H3,(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50437503 (CHEMBL2409627) Show SMILES COCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCCN2C)c1 |r| Show InChI InChI=1S/C17H26N2O2/c1-19-6-3-4-15(19)12-21-16-8-14(10-18-11-16)17-9-13(17)5-7-20-2/h8,10-11,13,15,17H,3-7,9,12H2,1-2H3/t13-,15-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nACHR expressed in human SHEP1 cells assessed as inhibition of carbamylcholine-induced 86Rb+ ion efflux prei...				J Med Chem 56: 5495-504 (2014) Article DOI: 10.1021/jm400510u BindingDB Entry DOI: 10.7270/Q23J3FCH
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491935 (CHEMBL2386102) Show SMILES COCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H18N2O4/c1-28-11-10-25-12-16(14-6-2-4-8-18(14)25)20-21(23(27)24-22(20)26)17-13-29-19-9-5-3-7-15(17)19/h2-9,12-13H,10-11H2,1H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50267605 (3-(benzofuran-3-yl)-4-(5-bromo-1-methyl-1H-indol-3...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)ccc12 |t:4| Show InChI InChI=1S/C21H13BrN2O3/c1-24-9-14(13-8-11(22)6-7-16(13)24)18-19(21(26)23-20(18)25)15-10-27-17-5-3-2-4-12(15)17/h2-10H,1H3,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491932 (CHEMBL2386095) Show SMILES OCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)ccc12 |t:6| Show InChI InChI=1S/C22H15BrN2O4/c23-12-5-6-17-14(9-12)15(10-25(17)7-8-26)19-20(22(28)24-21(19)27)16-11-29-18-4-2-1-3-13(16)18/h1-6,9-11,26H,7-8H2,(H,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398319 (CHEMBL2177346) Show SMILES CC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C14H20N2O/c1-2-10-6-14(10)11-5-13(8-15-7-11)17-9-12-3-4-16-12/h5,7-8,10,12,14,16H,2-4,6,9H2,1H3/t10-,12-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22.2	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at high sensitivity and low sensitivity alpha4beta2-nAChR expressed in human SH-EP1 cells assessed as inhibition of carbamylcholi...				J Med Chem 55: 8028-37 (2012) Article DOI: 10.1021/jm3008739 BindingDB Entry DOI: 10.7270/Q2NC62BW
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491926 (CHEMBL2386107) Show SMILES COCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)cnc12 |t:7| Show InChI InChI=1S/C22H16BrN3O4/c1-29-7-6-26-10-15(14-8-12(23)9-24-20(14)26)18-19(22(28)25-21(18)27)16-11-30-17-5-3-2-4-13(16)17/h2-5,8-11H,6-7H2,1H3,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50399416 (CHEMBL2178871) Show SMILES CCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C14H17N3O2/c1-2-11-6-14(19-17-11)10-5-13(8-15-7-10)18-9-12-3-4-16-12/h5-8,12,16H,2-4,9H2,1H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50399425 (CHEMBL1835611 | CHEMBL1852406) Show SMILES OCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C14H17N3O3/c18-4-2-11-6-14(20-17-11)10-5-13(8-15-7-10)19-9-12-1-3-16-12/h5-8,12,16,18H,1-4,9H2/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50399425 (CHEMBL1835611 | CHEMBL1852406) Show SMILES OCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C14H17N3O3/c18-4-2-11-6-14(20-17-11)10-5-13(8-15-7-10)19-9-12-1-3-16-12/h5-8,12,16,18H,1-4,9H2/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50399416 (CHEMBL2178871) Show SMILES CCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C14H17N3O2/c1-2-11-6-14(19-17-11)10-5-13(8-15-7-10)18-9-12-3-4-16-12/h5-8,12,16H,2-4,9H2,1H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491927 (CHEMBL2386105) Show SMILES COCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)c(F)cc12 |t:7| Show InChI InChI=1S/C23H16F2N2O4/c1-30-7-6-27-10-14(13-8-16(24)17(25)9-18(13)27)20-21(23(29)26-22(20)28)15-11-31-19-5-3-2-4-12(15)19/h2-5,8-11H,6-7H2,1H3,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50166908 (5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...) Show SMILES C1C2CNCC1c1cc3nccnc3cc21 Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	38.9	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50166908 (5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...) Show SMILES C1C2CNCC1c1cc3nccnc3cc21 Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491942 (CHEMBL2386103) Show SMILES COCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)ccc12 |t:7| Show InChI InChI=1S/C23H17FN2O4/c1-29-9-8-26-11-16(15-10-13(24)6-7-18(15)26)20-21(23(28)25-22(20)27)17-12-30-19-5-3-2-4-14(17)19/h2-7,10-12H,8-9H2,1H3,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50491943 (CHEMBL2386099) Show SMILES NCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)ccc12 |t:6| Show InChI InChI=1S/C22H16FN3O3/c23-12-5-6-17-14(9-12)15(10-26(17)8-7-24)19-20(22(28)25-21(19)27)16-11-29-18-4-2-1-3-13(16)18/h1-6,9-11H,7-8,24H2,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation				J Med Chem 56: 5115-29 (2013) Article DOI: 10.1021/jm400511s BindingDB Entry DOI: 10.7270/Q21R6TFJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50399420 (CHEMBL2178336) Show SMILES CCNC(=O)OCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C17H22N4O4/c1-2-19-17(22)23-6-4-13-8-16(25-21-13)12-7-15(10-18-9-12)24-11-14-3-5-20-14/h7-10,14,20H,2-6,11H2,1H3,(H,19,22)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50399421 (CHEMBL2178333) Show SMILES FCCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H18FN3O2/c16-4-1-2-12-7-15(21-19-12)11-6-14(9-17-8-11)20-10-13-3-5-18-13/h6-9,13,18H,1-5,10H2/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50399420 (CHEMBL2178336) Show SMILES CCNC(=O)OCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C17H22N4O4/c1-2-19-17(22)23-6-4-13-8-16(25-21-13)12-7-15(10-18-9-12)24-11-14-3-5-20-14/h7-10,14,20H,2-6,11H2,1H3,(H,19,22)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 130 total )  |  Next  |  Last  >>

Jump to: