Compile Data Set for Download or QSAR

Found 1351 hits with Last Name = 'napier' and Initial = 'c'   

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
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M5 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M2 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M4 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M3 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50374004 (CHEMBL271108) Show SMILES CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41| Show InChI InChI=1S/C52H60BF2N5O4S/c1-37(2)58(38(3)4)32-29-46(41-12-7-5-8-13-41)47-34-40(19-27-49(47)61)28-31-57-51(62)15-9-6-10-30-56-52(63)36-64-45-24-17-39(18-25-45)16-20-42-21-22-43-35-44-23-26-48(50-14-11-33-65-50)60(44)53(54,55)59(42)43/h5,7-8,11-14,16-27,33-35,37-38,46,61H,6,9-10,15,28-32,36H2,1-4H3,(H,56,63)(H,57,62)/b42-20+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50374004 (CHEMBL271108) Show SMILES CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41| Show InChI InChI=1S/C52H60BF2N5O4S/c1-37(2)58(38(3)4)32-29-46(41-12-7-5-8-13-41)47-34-40(19-27-49(47)61)28-31-57-51(62)15-9-6-10-30-56-52(63)36-64-45-24-17-39(18-25-45)16-20-42-21-22-43-35-44-23-26-48(50-14-11-33-65-50)60(44)53(54,55)59(42)43/h5,7-8,11-14,16-27,33-35,37-38,46,61H,6,9-10,15,28-32,36H2,1-4H3,(H,56,63)(H,57,62)/b42-20+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M4 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50374004 (CHEMBL271108) Show SMILES CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41| Show InChI InChI=1S/C52H60BF2N5O4S/c1-37(2)58(38(3)4)32-29-46(41-12-7-5-8-13-41)47-34-40(19-27-49(47)61)28-31-57-51(62)15-9-6-10-30-56-52(63)36-64-45-24-17-39(18-25-45)16-20-42-21-22-43-35-44-23-26-48(50-14-11-33-65-50)60(44)53(54,55)59(42)43/h5,7-8,11-14,16-27,33-35,37-38,46,61H,6,9-10,15,28-32,36H2,1-4H3,(H,56,63)(H,57,62)/b42-20+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M2 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50374004 (CHEMBL271108) Show SMILES CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41| Show InChI InChI=1S/C52H60BF2N5O4S/c1-37(2)58(38(3)4)32-29-46(41-12-7-5-8-13-41)47-34-40(19-27-49(47)61)28-31-57-51(62)15-9-6-10-30-56-52(63)36-64-45-24-17-39(18-25-45)16-20-42-21-22-43-35-44-23-26-48(50-14-11-33-65-50)60(44)53(54,55)59(42)43/h5,7-8,11-14,16-27,33-35,37-38,46,61H,6,9-10,15,28-32,36H2,1-4H3,(H,56,63)(H,57,62)/b42-20+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M3 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50374004 (CHEMBL271108) Show SMILES CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41| Show InChI InChI=1S/C52H60BF2N5O4S/c1-37(2)58(38(3)4)32-29-46(41-12-7-5-8-13-41)47-34-40(19-27-49(47)61)28-31-57-51(62)15-9-6-10-30-56-52(63)36-64-45-24-17-39(18-25-45)16-20-42-21-22-43-35-44-23-26-48(50-14-11-33-65-50)60(44)53(54,55)59(42)43/h5,7-8,11-14,16-27,33-35,37-38,46,61H,6,9-10,15,28-32,36H2,1-4H3,(H,56,63)(H,57,62)/b42-20+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	17.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M5 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50374006 (CHEMBL257643) Show SMILES CCN(CC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 Show InChI InChI=1S/C26H41N3/c1-6-28(7-2)26-16-14-24(15-17-26)12-13-25-18-21-27(22-19-25)20-11-23-29(8-3,9-4)10-5/h12-19,21-22H,6-11,20,23H2,1-5H3/q+2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M3 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50374005 (CHEMBL257431) Show SMILES CCCCN(CCCC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 Show InChI InChI=1S/C30H49N3/c1-6-11-23-32(24-12-7-2)30-18-16-28(17-19-30)14-15-29-20-25-31(26-21-29)22-13-27-33(8-3,9-4)10-5/h14-21,25-26H,6-13,22-24,27H2,1-5H3/q+2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M3 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50374006 (CHEMBL257643) Show SMILES CCN(CC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 Show InChI InChI=1S/C26H41N3/c1-6-28(7-2)26-16-14-24(15-17-26)12-13-25-18-21-27(22-19-25)20-11-23-29(8-3,9-4)10-5/h12-19,21-22H,6-11,20,23H2,1-5H3/q+2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50374006 (CHEMBL257643) Show SMILES CCN(CC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 Show InChI InChI=1S/C26H41N3/c1-6-28(7-2)26-16-14-24(15-17-26)12-13-25-18-21-27(22-19-25)20-11-23-29(8-3,9-4)10-5/h12-19,21-22H,6-11,20,23H2,1-5H3/q+2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M2 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50374005 (CHEMBL257431) Show SMILES CCCCN(CCCC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 Show InChI InChI=1S/C30H49N3/c1-6-11-23-32(24-12-7-2)30-18-16-28(17-19-30)14-15-29-20-25-31(26-21-29)22-13-27-33(8-3,9-4)10-5/h14-21,25-26H,6-13,22-24,27H2,1-5H3/q+2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50374005 (CHEMBL257431) Show SMILES CCCCN(CCCC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 Show InChI InChI=1S/C30H49N3/c1-6-11-23-32(24-12-7-2)30-18-16-28(17-19-30)14-15-29-20-25-31(26-21-29)22-13-27-33(8-3,9-4)10-5/h14-21,25-26H,6-13,22-24,27H2,1-5H3/q+2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M2 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50374005 (CHEMBL257431) Show SMILES CCCCN(CCCC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 Show InChI InChI=1S/C30H49N3/c1-6-11-23-32(24-12-7-2)30-18-16-28(17-19-30)14-15-29-20-25-31(26-21-29)22-13-27-33(8-3,9-4)10-5/h14-21,25-26H,6-13,22-24,27H2,1-5H3/q+2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M5 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50374005 (CHEMBL257431) Show SMILES CCCCN(CCCC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 Show InChI InChI=1S/C30H49N3/c1-6-11-23-32(24-12-7-2)30-18-16-28(17-19-30)14-15-29-20-25-31(26-21-29)22-13-27-33(8-3,9-4)10-5/h14-21,25-26H,6-13,22-24,27H2,1-5H3/q+2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M4 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50374006 (CHEMBL257643) Show SMILES CCN(CC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 Show InChI InChI=1S/C26H41N3/c1-6-28(7-2)26-16-14-24(15-17-26)12-13-25-18-21-27(22-19-25)20-11-23-29(8-3,9-4)10-5/h12-19,21-22H,6-11,20,23H2,1-5H3/q+2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M4 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50374006 (CHEMBL257643) Show SMILES CCN(CC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 Show InChI InChI=1S/C26H41N3/c1-6-28(7-2)26-16-14-24(15-17-26)12-13-25-18-21-27(22-19-25)20-11-23-29(8-3,9-4)10-5/h12-19,21-22H,6-11,20,23H2,1-5H3/q+2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	228	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M5 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 825-7 (2008) Article DOI: 10.1016/j.bmcl.2007.11.022 BindingDB Entry DOI: 10.7270/Q2BZ66WS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM140389 (US10947243, Example 114 | US8912173, 114 | US99147...) Show SMILES CCCn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r| Show InChI InChI=1S/C21H24N4O2/c1-3-7-25-13-17(12-24-25)15-8-19-18(5-4-6-22-19)20(9-15)27-14(2)16-10-21(26)23-11-16/h4-6,8-9,12-14,16H,3,7,10-11H2,1-2H3,(H,23,26)/t14-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM140390 (US10947243, Example 115 | US8912173, 115 | US99147...) Show SMILES CC(C)n1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r| Show InChI InChI=1S/C21H24N4O2/c1-13(2)25-12-17(11-24-25)15-7-19-18(5-4-6-22-19)20(8-15)27-14(3)16-9-21(26)23-10-16/h4-8,11-14,16H,9-10H2,1-3H3,(H,23,26)/t14-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM375967 (US10947243, Example 45 | US9914735, Example 45) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnn(c1)C1CCNCC1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C22H28N6O2/c1-14(16-9-22(29)24-10-16)30-21-8-15(7-20-19(21)13-27(2)26-20)17-11-25-28(12-17)18-3-5-23-6-4-18/h7-8,11-14,16,18,23H,3-6,9-10H2,1-2H3,(H,24,29)/t14-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375967 (US10947243, Example 45 | US9914735, Example 45) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnn(c1)C1CCNCC1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C22H28N6O2/c1-14(16-9-22(29)24-10-16)30-21-8-15(7-20-19(21)13-27(2)26-20)17-11-25-28(12-17)18-3-5-23-6-4-18/h7-8,11-14,16,18,23H,3-6,9-10H2,1-2H3,(H,24,29)/t14-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM140390 (US10947243, Example 115 | US8912173, 115 | US99147...) Show SMILES CC(C)n1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r| Show InChI InChI=1S/C21H24N4O2/c1-13(2)25-12-17(11-24-25)15-7-19-18(5-4-6-22-19)20(8-15)27-14(3)16-9-21(26)23-10-16/h4-8,11-14,16H,9-10H2,1-3H3,(H,23,26)/t14-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM140389 (US10947243, Example 114 | US8912173, 114 | US99147...) Show SMILES CCCn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r| Show InChI InChI=1S/C21H24N4O2/c1-3-7-25-13-17(12-24-25)15-8-19-18(5-4-6-22-19)20(9-15)27-14(2)16-10-21(26)23-11-16/h4-6,8-9,12-14,16H,3,7,10-11H2,1-2H3,(H,23,26)/t14-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50189399 ((S)-N-(3-(4-(2-(4-fluorophenyl)acetamido)piperidin...) Show SMILES Fc1ccc(CC(=O)NC2CCN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H34FN3O2/c28-23-11-9-20(10-12-23)19-26(32)29-24-13-16-31(17-14-24)18-15-25(21-5-2-1-3-6-21)30-27(33)22-7-4-8-22/h1-3,5-6,9-12,22,24-25H,4,7-8,13-19H2,(H,29,32)(H,30,33)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [125I]MIP-1beta binding to CCR5 expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4633-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.012 BindingDB Entry DOI: 10.7270/Q2QF8SHW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM125676 (US8772305, 71) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Nc3nccc(n3)-c3cc(OCC(C)(C)CO)ccn3)ccc2[nH]1 Show InChI InChI=1S/C28H33N7O3/c1-28(2,17-36)18-38-21-6-8-29-24(16-21)23-7-9-30-27(33-23)31-20-4-5-22-19(14-20)15-25(32-22)26(37)35-12-10-34(3)11-13-35/h4-9,14-16,32,36H,10-13,17-18H2,1-3H3,(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.5	-80
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US8772305 (2014) BindingDB Entry DOI: 10.7270/Q2KH0M0H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM140380 (US10947243, Example 105 | US8912173, 105 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2n(C)c(C)nc2c1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C24H24N4O2/c1-14(18-12-24(29)26-13-18)30-23-11-17(10-20-19(23)5-4-8-25-20)16-6-7-22-21(9-16)27-15(2)28(22)3/h4-11,14,18H,12-13H2,1-3H3,(H,26,29)/t14-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375944 (US10947243, Example 10 | US9914735, Example 10) Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCC(F)(F)CC1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C22H26F2N6O2/c1-13(14-7-20(31)25-9-14)32-21-17-12-29(2)28-19(17)8-18(27-21)15-10-26-30(11-15)16-3-5-22(23,24)6-4-16/h8,10-14,16H,3-7,9H2,1-2H3,(H,25,31)/t13-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375942 (US10947243, Example 8 | US9914735, Example 8) Show SMILES COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r| Show InChI InChI=1S/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375942 (US10947243, Example 8 | US9914735, Example 8) Show SMILES COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r| Show InChI InChI=1S/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM375966 (US10947243, Example 43 | US9914735, Example 43) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnc2ccc(cn12)C#N)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C22H20N6O2/c1-13(16-7-22(29)25-9-16)30-20-6-15(5-18-17(20)12-27(2)26-18)19-10-24-21-4-3-14(8-23)11-28(19)21/h3-6,10-13,16H,7,9H2,1-2H3,(H,25,29)/t13-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375964 (US10947243, Example 41 | US9914735, Example 41) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(F)cn1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C19H19FN4O2/c1-11(13-7-19(25)22-8-13)26-18-6-12(16-4-3-14(20)9-21-16)5-17-15(18)10-24(2)23-17/h3-6,9-11,13H,7-8H2,1-2H3,(H,22,25)/t11-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM140380 (US10947243, Example 105 | US8912173, 105 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2n(C)c(C)nc2c1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C24H24N4O2/c1-14(18-12-24(29)26-13-18)30-23-11-17(10-20-19(23)5-4-8-25-20)16-6-7-22-21(9-16)27-15(2)28(22)3/h4-11,14,18H,12-13H2,1-3H3,(H,26,29)/t14-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM125855 (US8772305, 250) Show SMILES CN(C)C(=O)c1cc2cc(Nc3nccc(n3)-c3ccccn3)cc(Cl)c2[nH]1 Show InChI InChI=1S/C20H17ClN6O/c1-27(2)19(28)17-10-12-9-13(11-14(21)18(12)25-17)24-20-23-8-6-16(26-20)15-5-3-4-7-22-15/h3-11,25H,1-2H3,(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	-80
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US8772305 (2014) BindingDB Entry DOI: 10.7270/Q2KH0M0H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM140384 (US10947243, Example 109 | US8912173, 109 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2[nH]c(C)nc2c1)[C@H]1CNC(=O)C1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM375964 (US10947243, Example 41 | US9914735, Example 41) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(F)cn1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C19H19FN4O2/c1-11(13-7-19(25)22-8-13)26-18-6-12(16-4-3-14(20)9-21-16)5-17-15(18)10-24(2)23-17/h3-6,9-11,13H,7-8H2,1-2H3,(H,22,25)/t11-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM140369 (US10947243, Example 94 | US8912173, 94 | US9914735...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2n(C)cnc2c1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C23H22N4O2/c1-14(17-11-23(28)25-12-17)29-22-10-16(9-19-18(22)4-3-7-24-19)15-5-6-21-20(8-15)26-13-27(21)2/h3-10,13-14,17H,11-12H2,1-2H3,(H,25,28)/t14-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375966 (US10947243, Example 43 | US9914735, Example 43) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnc2ccc(cn12)C#N)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C22H20N6O2/c1-13(16-7-22(29)25-9-16)30-20-6-15(5-18-17(20)12-27(2)26-18)19-10-24-21-4-3-14(8-23)11-28(19)21/h3-6,10-13,16H,7,9H2,1-2H3,(H,25,29)/t13-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM140384 (US10947243, Example 109 | US8912173, 109 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2[nH]c(C)nc2c1)[C@H]1CNC(=O)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM375942 (US10947243, Example 8 | US9914735, Example 8) Show SMILES COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r| Show InChI InChI=1S/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM375942 (US10947243, Example 8 | US9914735, Example 8) Show SMILES COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r| Show InChI InChI=1S/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM375944 (US10947243, Example 10 | US9914735, Example 10) Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCC(F)(F)CC1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C22H26F2N6O2/c1-13(14-7-20(31)25-9-14)32-21-17-12-29(2)28-19(17)8-18(27-21)15-10-26-30(11-15)16-3-5-22(23,24)6-4-16/h8,10-14,16H,3-7,9H2,1-2H3,(H,25,31)/t13-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM140369 (US10947243, Example 94 | US8912173, 94 | US9914735...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2n(C)cnc2c1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C23H22N4O2/c1-14(17-11-23(28)25-12-17)29-22-10-16(9-19-18(22)4-3-7-24-19)15-5-6-21-20(8-15)26-13-27(21)2/h3-10,13-14,17H,11-12H2,1-2H3,(H,25,28)/t14-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM125892 (US8772305, 287) Show SMILES Clc1cc(Nc2nccc(n2)-c2ccccn2)cc2nc[nH]c12 Show InChI InChI=1S/C16H11ClN6/c17-11-7-10(8-14-15(11)21-9-20-14)22-16-19-6-4-13(23-16)12-3-1-2-5-18-12/h1-9H,(H,20,21)(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.5	-80
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US8772305 (2014) BindingDB Entry DOI: 10.7270/Q2KH0M0H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM125635 (US8772305, 30) Show SMILES CN(C)C(=O)c1cc2cc(Nc3nccc(n3)-c3cc(OC4CCC(O)C4)ccn3)ccc2[nH]1 Show InChI InChI=1S/C25H26N6O3/c1-31(2)24(33)23-12-15-11-16(3-6-20(15)29-23)28-25-27-10-8-21(30-25)22-14-19(7-9-26-22)34-18-5-4-17(32)13-18/h3,6-12,14,17-18,29,32H,4-5,13H2,1-2H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.5	-80
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US8772305 (2014) BindingDB Entry DOI: 10.7270/Q2KH0M0H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM125624 (US8772305, 19) Show SMILES COc1ccnc(c1)-c1ccnc(Nc2ccc3[nH]c(cc3c2)C(=O)N2CCC3(CC2)COCC(=O)N3C)n1 Show InChI InChI=1S/C28H29N7O4/c1-34-25(36)16-39-17-28(34)7-11-35(12-8-28)26(37)24-14-18-13-19(3-4-21(18)32-24)31-27-30-10-6-22(33-27)23-15-20(38-2)5-9-29-23/h3-6,9-10,13-15,32H,7-8,11-12,16-17H2,1-2H3,(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.5	-80
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US8772305 (2014) BindingDB Entry DOI: 10.7270/Q2KH0M0H
					More data for this Ligand-Target Pair

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