Compile Data Set for Download or QSAR

Found 388 hits with Last Name = 'jerning' and Initial = 'e'   

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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50397757 (CHEMBL2177173) Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1CN1CCCC1 Show InChI InChI=1S/C26H32N8O3S/c1-32-12-14-34(15-13-32)38(36,37)21-6-4-19(5-7-21)23-17-29-25(27)24(30-23)26(35)31-22-16-28-9-8-20(22)18-33-10-2-3-11-33/h4-9,16-17H,2-3,10-15,18H2,1H3,(H2,27,29)(H,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...				J Med Chem 55: 9107-19 (2012) Article DOI: 10.1021/jm201724m BindingDB Entry DOI: 10.7270/Q2X0685T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM86708 (CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Preclinical R & D, Astra Arcus AB Curated by PDSP Ki Database									J Pharmacol Exp Ther 283: 216-25 (1997) BindingDB Entry DOI: 10.7270/Q22Z142T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM85827 ((R)-3-[Isopropyl(propyl)amino]-3,4-dihydro-2H-1-be...) Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1 Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 883-93 (2001) BindingDB Entry DOI: 10.7270/Q2PK0DQ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50090771 ((R)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-et...) Show SMILES CCCN(C(C)C)C1COc2cccc(C(C)=O)c2C1 Show InChI InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...				J Med Chem 43: 2837-50 (2000) BindingDB Entry DOI: 10.7270/Q2610ZJK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50090762 ((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...) Show SMILES CCCN(C(C)C)C1COc2cccc(C(=O)OC)c2C1 Show InChI InChI=1S/C17H25NO3/c1-5-9-18(12(2)3)13-10-15-14(17(19)20-4)7-6-8-16(15)21-11-13/h6-8,12-13H,5,9-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...				J Med Chem 43: 2837-50 (2000) BindingDB Entry DOI: 10.7270/Q2610ZJK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50090763 ((R)-3-{[4-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-but...) Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(C(=O)NC)c2C1 Show InChI InChI=1S/C27H39N3O4/c1-3-13-29(20-16-22-21(26(33)28-2)9-8-10-23(22)34-19-20)14-6-7-15-30-24(31)17-27(18-25(30)32)11-4-5-12-27/h8-10,20H,3-7,11-19H2,1-2H3,(H,28,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...				J Med Chem 43: 2837-50 (2000) BindingDB Entry DOI: 10.7270/Q2610ZJK
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50397744 (CHEMBL2177163) Show SMILES Nc1ncc(nc1C(=O)Nc1cccnc1)-c1ccc(cc1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C21H22N6O3S/c22-20-19(21(28)25-16-5-4-10-23-13-16)26-18(14-24-20)15-6-8-17(9-7-15)31(29,30)27-11-2-1-3-12-27/h4-10,13-14H,1-3,11-12H2,(H2,22,24)(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...				J Med Chem 55: 9107-19 (2012) Article DOI: 10.1021/jm201724m BindingDB Entry DOI: 10.7270/Q2X0685T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50090756 ((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...) Show SMILES CCCN(C1CCCC1)C1COc2cccc(C(=O)OC)c2C1 Show InChI InChI=1S/C19H27NO3/c1-3-11-20(14-7-4-5-8-14)15-12-17-16(19(21)22-2)9-6-10-18(17)23-13-15/h6,9-10,14-15H,3-5,7-8,11-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...				J Med Chem 43: 2837-50 (2000) BindingDB Entry DOI: 10.7270/Q2610ZJK
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50397749 (CHEMBL2182002) Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(c(C)c1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C22H25N7O3S/c1-15-12-17(33(31,32)29-10-8-28(2)9-11-29)5-6-18(15)19-14-25-21(23)20(27-19)22(30)26-16-4-3-7-24-13-16/h3-7,12-14H,8-11H2,1-2H3,(H2,23,25)(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...				J Med Chem 55: 9107-19 (2012) Article DOI: 10.1021/jm201724m BindingDB Entry DOI: 10.7270/Q2X0685T
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50397756 (CHEMBL2177174) Show SMILES CN(C)Cc1ccncc1NC(=O)c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C23H27N7O3S/c1-29(2)15-17-9-10-25-13-19(17)28-23(31)21-22(24)26-14-20(27-21)16-5-7-18(8-6-16)34(32,33)30-11-3-4-12-30/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H2,24,26)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...				J Med Chem 55: 9107-19 (2012) Article DOI: 10.1021/jm201724m BindingDB Entry DOI: 10.7270/Q2X0685T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50090764 ((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...) Show SMILES CCCN(C(C)C)C1COc2cccc(C(N)=O)c2C1 Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...				J Med Chem 43: 2837-50 (2000) BindingDB Entry DOI: 10.7270/Q2610ZJK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM85190 (CAS_3055171 | NAD-299 | NSC_3055171) Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1 Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Preclinical R & D, Astra Arcus AB Curated by PDSP Ki Database									J Pharmacol Exp Ther 283: 216-25 (1997) BindingDB Entry DOI: 10.7270/Q22Z142T
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50397743 (CHEMBL2177165) Show SMILES Nc1ncc(nc1C(=O)Nc1cccnc1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C20H20N6O4S/c21-19-18(20(27)24-15-2-1-7-22-12-15)25-17(13-23-19)14-3-5-16(6-4-14)31(28,29)26-8-10-30-11-9-26/h1-7,12-13H,8-11H2,(H2,21,23)(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...				J Med Chem 55: 9107-19 (2012) Article DOI: 10.1021/jm201724m BindingDB Entry DOI: 10.7270/Q2X0685T
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50397753 (CHEMBL2177177) Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ncns1 Show InChI InChI=1S/C18H20N8O3S2/c1-25-6-8-26(9-7-25)31(28,29)13-4-2-12(3-5-13)14-10-20-16(19)15(23-14)17(27)24-18-21-11-22-30-18/h2-5,10-11H,6-9H2,1H3,(H2,19,20)(H,21,22,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...				J Med Chem 55: 9107-19 (2012) Article DOI: 10.1021/jm201724m BindingDB Entry DOI: 10.7270/Q2X0685T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50026044 (3-Bromo-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Br)c1OC Show InChI InChI=1S/C17H25BrN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50397748 (CHEMBL2177155) Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(n2)C(=O)Nc2cccnc2)c(c1)C(F)(F)F Show InChI InChI=1S/C22H22F3N7O3S/c1-31-7-9-32(10-8-31)36(34,35)15-4-5-16(17(11-15)22(23,24)25)18-13-28-20(26)19(30-18)21(33)29-14-3-2-6-27-12-14/h2-6,11-13H,7-10H2,1H3,(H2,26,28)(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...				J Med Chem 55: 9107-19 (2012) Article DOI: 10.1021/jm201724m BindingDB Entry DOI: 10.7270/Q2X0685T
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50397768 (CHEMBL2182001) Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(c(F)c1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C21H22FN7O3S/c1-28-7-9-29(10-8-28)33(31,32)15-4-5-16(17(22)11-15)18-13-25-20(23)19(27-18)21(30)26-14-3-2-6-24-12-14/h2-6,11-13H,7-10H2,1H3,(H2,23,25)(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...				J Med Chem 55: 9107-19 (2012) Article DOI: 10.1021/jm201724m BindingDB Entry DOI: 10.7270/Q2X0685T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50026051 (3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-h...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(CC)c1OC Show InChI InChI=1S/C19H30N2O3/c1-5-13-11-14(6-2)18(24-4)16(17(13)22)19(23)20-12-15-9-8-10-21(15)7-3/h11,15,22H,5-10,12H2,1-4H3,(H,20,23)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50397767 (CHEMBL2177156) Show SMILES CN1CCN(CC1)S(=O)(=O)c1cc(C)c(cc1C)-c1cnc(N)c(n1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C23H27N7O3S/c1-15-12-20(34(32,33)30-9-7-29(3)8-10-30)16(2)11-18(15)19-14-26-22(24)21(28-19)23(31)27-17-5-4-6-25-13-17/h4-6,11-14H,7-10H2,1-3H3,(H2,24,26)(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...				J Med Chem 55: 9107-19 (2012) Article DOI: 10.1021/jm201724m BindingDB Entry DOI: 10.7270/Q2X0685T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50026059 (3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-h...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)ccc1OC Show InChI InChI=1S/C17H26N2O3/c1-4-12-8-9-14(22-3)15(16(12)20)17(21)18-11-13-7-6-10-19(13)5-2/h8-9,13,20H,4-7,10-11H2,1-3H3,(H,18,21)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50026051 (3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-h...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(CC)c1OC Show InChI InChI=1S/C19H30N2O3/c1-5-13-11-14(6-2)18(24-4)16(17(13)22)19(23)20-12-15-9-8-10-21(15)7-3/h11,15,22H,5-10,12H2,1-4H3,(H,20,23)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50397746 (CHEMBL2177159) Show SMILES COCCNS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C19H20N6O4S/c1-29-10-9-23-30(27,28)15-6-4-13(5-7-15)16-12-22-18(20)17(25-16)19(26)24-14-3-2-8-21-11-14/h2-8,11-12,23H,9-10H2,1H3,(H2,20,22)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...				J Med Chem 55: 9107-19 (2012) Article DOI: 10.1021/jm201724m BindingDB Entry DOI: 10.7270/Q2X0685T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50026044 (3-Bromo-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Br)c1OC Show InChI InChI=1S/C17H25BrN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50090772 ((R)-3-(Isobutyl-propyl-amino)-chroman-5-carboxylic...) Show SMILES CCCN(CC(C)C)C1COc2cccc(C(=O)NC)c2C1 Show InChI InChI=1S/C18H28N2O2/c1-5-9-20(11-13(2)3)14-10-16-15(18(21)19-4)7-6-8-17(16)22-12-14/h6-8,13-14H,5,9-12H2,1-4H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...				J Med Chem 43: 2837-50 (2000) BindingDB Entry DOI: 10.7270/Q2610ZJK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50026059 (3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-h...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)ccc1OC Show InChI InChI=1S/C17H26N2O3/c1-4-12-8-9-14(22-3)15(16(12)20)17(21)18-11-13-7-6-10-19(13)5-2/h8-9,13,20H,4-7,10-11H2,1-3H3,(H,18,21)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50397762 (CHEMBL2177168) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C22H23N7O2/c1-28-9-11-29(12-10-28)22(31)16-6-4-15(5-7-16)18-14-25-20(23)19(27-18)21(30)26-17-3-2-8-24-13-17/h2-8,13-14H,9-12H2,1H3,(H2,23,25)(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...				J Med Chem 55: 9107-19 (2012) Article DOI: 10.1021/jm201724m BindingDB Entry DOI: 10.7270/Q2X0685T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50090770 ((R)-Isopropyl-(5-methoxy-chroman-3-yl)-propyl-amin...) Show SMILES CCCN(C(C)C)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C16H25NO2/c1-5-9-17(12(2)3)13-10-14-15(18-4)7-6-8-16(14)19-11-13/h6-8,12-13H,5,9-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description In vitro binding affinity at 5-HT1A receptor by measuring its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocam...				J Med Chem 43: 2837-50 (2000) BindingDB Entry DOI: 10.7270/Q2610ZJK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50026059 (3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-h...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)ccc1OC Show InChI InChI=1S/C17H26N2O3/c1-4-12-8-9-14(22-3)15(16(12)20)17(21)18-11-13-7-6-10-19(13)5-2/h8-9,13,20H,4-7,10-11H2,1-3H3,(H,18,21)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair
CX3C chemokine receptor 1 (Homo sapiens (Human))	BDBM50432452 (CHEMBL2349310) Show SMILES CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc2nc(N)sc12 |r| Show InChI InChI=1S/C19H25N5OS2/c1-11(2)9-14(10-25)21-16-15-17(22-18(20)27-15)24-19(23-16)26-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,25H,9-10H2,1-3H3,(H3,20,21,22,23,24)/t12-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis				J Med Chem 56: 3177-90 (2013) Article DOI: 10.1021/jm3012273 BindingDB Entry DOI: 10.7270/Q2ST7R7X
					More data for this Ligand-Target Pair
CX3C chemokine receptor 1 (Homo sapiens (Human))	BDBM50432439 (CHEMBL2349322) Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2Br)nc2nc(N)sc12 |r| Show InChI InChI=1S/C18H22BrN5OS2/c1-10(2)7-12(8-25)21-15-14-16(22-17(20)27-14)24-18(23-15)26-9-11-5-3-4-6-13(11)19/h3-6,10,12,25H,7-9H2,1-2H3,(H3,20,21,22,23,24)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis				J Med Chem 56: 3177-90 (2013) Article DOI: 10.1021/jm3012273 BindingDB Entry DOI: 10.7270/Q2ST7R7X
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50432427 (CHEMBL2349306) Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)[nH]c2nc(=O)sc12 |r| Show InChI InChI=1S/C18H20F2N4O2S2/c1-9(2)6-11(7-25)21-15-14-16(24-18(26)28-14)23-17(22-15)27-8-10-4-3-5-12(19)13(10)20/h3-5,9,11,25H,6-8H2,1-2H3,(H2,21,22,23,24,26)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-IL8 from human CXCR2 transfected in HEK293 cells after 4 hrs by microbeta counting analysis				J Med Chem 56: 3177-90 (2013) Article DOI: 10.1021/jm3012273 BindingDB Entry DOI: 10.7270/Q2ST7R7X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM48320 (4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...) Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50026044 (3-Bromo-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Br)c1OC Show InChI InChI=1S/C17H25BrN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50397764 (CHEMBL2177162) Show SMILES Nc1ncc(nc1C(=O)Nc1cccnc1)-c1ccc(cc1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C20H20N6O3S/c21-19-18(20(27)24-15-4-3-9-22-12-15)25-17(13-23-19)14-5-7-16(8-6-14)30(28,29)26-10-1-2-11-26/h3-9,12-13H,1-2,10-11H2,(H2,21,23)(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...				J Med Chem 55: 9107-19 (2012) Article DOI: 10.1021/jm201724m BindingDB Entry DOI: 10.7270/Q2X0685T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM85826 ((R)-N-Isopropyl-3-[isopropyl(propyl)amino]-3,4-dih...) Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1 Show InChI InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 883-93 (2001) BindingDB Entry DOI: 10.7270/Q2PK0DQ2
					More data for this Ligand-Target Pair
CX3C chemokine receptor 1 (Homo sapiens (Human))	BDBM50432471 (CHEMBL2349316) Show SMILES CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2F)nc2nc(N)sc12 |r| Show InChI InChI=1S/C19H24FN5OS2/c1-10(2)8-12(9-26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-11(3)13-6-4-5-7-14(13)20/h4-7,10-12,26H,8-9H2,1-3H3,(H3,21,22,23,24,25)/t11-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis				J Med Chem 56: 3177-90 (2013) Article DOI: 10.1021/jm3012273 BindingDB Entry DOI: 10.7270/Q2ST7R7X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50397745 (CHEMBL2177161) Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C21H23N7O3S/c1-27-9-11-28(12-10-27)32(30,31)17-6-4-15(5-7-17)18-14-24-20(22)19(26-18)21(29)25-16-3-2-8-23-13-16/h2-8,13-14H,9-12H2,1H3,(H2,22,24)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...				J Med Chem 55: 9107-19 (2012) Article DOI: 10.1021/jm201724m BindingDB Entry DOI: 10.7270/Q2X0685T
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair
CX3C chemokine receptor 1 (Homo sapiens (Human))	BDBM50432466 (CHEMBL2349180) Show SMILES CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2cc(Cl)ccn2)[nH]c2nc(=O)sc12 |r| Show InChI InChI=1S/C18H22ClN5O2S2/c1-9(2)6-12(8-25)21-15-14-16(24-18(26)28-14)23-17(22-15)27-10(3)13-7-11(19)4-5-20-13/h4-5,7,9-10,12,25H,6,8H2,1-3H3,(H2,21,22,23,24,26)/t10-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis				J Med Chem 56: 3177-90 (2013) Article DOI: 10.1021/jm3012273 BindingDB Entry DOI: 10.7270/Q2ST7R7X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007534 (3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair
CX3C chemokine receptor 1 (Homo sapiens (Human))	BDBM50432467 (CHEMBL2349179) Show SMILES CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2cc(Cl)ccn2)nc2nc(N)sc12 |r| Show InChI InChI=1S/C18H23ClN6OS2/c1-9(2)6-12(8-26)22-15-14-16(23-17(20)28-14)25-18(24-15)27-10(3)13-7-11(19)4-5-21-13/h4-5,7,9-10,12,26H,6,8H2,1-3H3,(H3,20,22,23,24,25)/t10-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis				J Med Chem 56: 3177-90 (2013) Article DOI: 10.1021/jm3012273 BindingDB Entry DOI: 10.7270/Q2ST7R7X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50397766 (CHEMBL2177158) Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(cc1C)-c1cnc(N)c(n1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C22H25N7O3S/c1-15-12-16(5-6-19(15)33(31,32)29-10-8-28(2)9-11-29)18-14-25-21(23)20(27-18)22(30)26-17-4-3-7-24-13-17/h3-7,12-14H,8-11H2,1-2H3,(H2,23,25)(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...				J Med Chem 55: 9107-19 (2012) Article DOI: 10.1021/jm201724m BindingDB Entry DOI: 10.7270/Q2X0685T
					More data for this Ligand-Target Pair
CX3C chemokine receptor 1 (Homo sapiens (Human))	BDBM50432450 (CHEMBL2349312) Show SMILES CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)[nH]c2nc(=O)sc12 |r| Show InChI InChI=1S/C19H24N4O2S2/c1-11(2)9-14(10-24)20-16-15-17(23-19(25)27-15)22-18(21-16)26-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,24H,9-10H2,1-3H3,(H2,20,21,22,23,25)/t12-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis				J Med Chem 56: 3177-90 (2013) Article DOI: 10.1021/jm3012273 BindingDB Entry DOI: 10.7270/Q2ST7R7X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007534 (3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Läkemedel AB Curated by PDSP Ki Database									Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986) Article DOI: 10.1111/j.1600-0773.1986.tb00071.x BindingDB Entry DOI: 10.7270/Q2PG1Q7V
					More data for this Ligand-Target Pair

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