Compile Data Set for Download or QSAR

Found 3710 hits with Last Name = 'harris' 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 M4 (Homo sapiens (Human))	BDBM50296345 ((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...) Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00780	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]-NMS from human recombinant M4 receptor expressed in CHO cells after 24 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50296345 ((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...) Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00980	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]-NMS from human recombinant M3 receptor expressed in CHO cells after 24 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50296345 ((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...) Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0130	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]-NMS from human recombinant M1 receptor expressed in CHO cells after 24 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50296345 ((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...) Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0215	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]-NMS from human recombinant M2 receptor expressed in CHO cells after 24 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50296345 ((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...) Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0266	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]-NMS from human recombinant M5 receptor expressed in CHO cells after 24 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50355612 (CHEMBL1910848) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1ccccc1 Show InChI InChI=1S/C28H32N2O2/c1-27(2,30-20-25(21-30)32-24-16-10-5-11-17-24)18-19-28(26(29)31,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,25H,18-21H2,1-2H3,(H2,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a...				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50296345 ((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...) Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a...				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50355612 (CHEMBL1910848) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1ccccc1 Show InChI InChI=1S/C28H32N2O2/c1-27(2,30-20-25(21-30)32-24-16-10-5-11-17-24)18-19-28(26(29)31,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,25H,18-21H2,1-2H3,(H2,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0560	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]-NMS from human recombinant M2 receptor expressed in CHO cells after 2 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50463758 (CHEMBL4250302) Show SMILES COc1ccc(Nc2c(NC(C)(C)CCCCC(=O)NO)c(=O)c2=O)cc1 Show InChI InChI=1S/C19H25N3O5/c1-19(2,11-5-4-6-14(23)22-26)21-16-15(17(24)18(16)25)20-12-7-9-13(27-3)10-8-12/h7-10,20-21,26H,4-6,11H2,1-3H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestle Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method				Bioorg Med Chem Lett 28: 2985-2992 (2018) Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50463741 (CHEMBL4239232) Show SMILES Cc1ccc(Nc2c(NCCCCCC(=O)NO)c(=O)c2=O)cc1 Show InChI InChI=1S/C17H21N3O4/c1-11-6-8-12(9-7-11)19-15-14(16(22)17(15)23)18-10-4-2-3-5-13(21)20-24/h6-9,18-19,24H,2-5,10H2,1H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestle Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method				Bioorg Med Chem Lett 28: 2985-2992 (2018) Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50296345 ((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...) Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0610	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]-NMS from human recombinant M2 receptor expressed in CHO cells after 2 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50463759 (CHEMBL4237636) Show SMILES COc1ccc(Nc2c(NC3(CCCCC(=O)NO)CCC3)c(=O)c2=O)cc1 Show InChI InChI=1S/C20H25N3O5/c1-28-14-8-6-13(7-9-14)21-16-17(19(26)18(16)25)22-20(11-4-12-20)10-3-2-5-15(24)23-27/h6-9,21-22,27H,2-5,10-12H2,1H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestle Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method				Bioorg Med Chem Lett 28: 2985-2992 (2018) Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50296345 ((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...) Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0750	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]-NMS from human recombinant M3 receptor expressed in CHO cells after 2 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50463739 (CHEMBL4237803) Show SMILES COc1ccc(Nc2c(NCCCCCC(=O)NO)c(=O)c2=O)cc1 Show InChI InChI=1S/C17H21N3O5/c1-25-12-8-6-11(7-9-12)19-15-14(16(22)17(15)23)18-10-4-2-3-5-13(21)20-24/h6-9,18-19,24H,2-5,10H2,1H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestle Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method				Bioorg Med Chem Lett 28: 2985-2992 (2018) Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50463736 (CHEMBL4251203) Show SMILES CC(CCCCC(=O)NO)Nc1c(Nc2ccc(C)cc2)c(=O)c1=O Show InChI InChI=1S/C18H23N3O4/c1-11-7-9-13(10-8-11)20-16-15(17(23)18(16)24)19-12(2)5-3-4-6-14(22)21-25/h7-10,12,19-20,25H,3-6H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestle Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method				Bioorg Med Chem Lett 28: 2985-2992 (2018) Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50355612 (CHEMBL1910848) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1ccccc1 Show InChI InChI=1S/C28H32N2O2/c1-27(2,30-20-25(21-30)32-24-16-10-5-11-17-24)18-19-28(26(29)31,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,25H,18-21H2,1-2H3,(H2,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.110	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]-NMS from human recombinant M3 receptor expressed in CHO cells after 2 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50355622 (CHEMBL1910856) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1 Show InChI InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.115	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]-NMS from human recombinant M1 receptor expressed in CHO cells after 24 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50355622 (CHEMBL1910856) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1 Show InChI InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.115	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]-NMS from human recombinant M4 receptor expressed in CHO cells after 24 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50355622 (CHEMBL1910856) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1 Show InChI InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.128	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]-NMS from human recombinant M3 receptor expressed in CHO cells after 24 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50355622 (CHEMBL1910856) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1 Show InChI InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.137	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]-NMS from human recombinant M2 receptor expressed in CHO cells after 24 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50463756 (CHEMBL4246561) Show SMILES C[C@H](CCCCC(=O)NO)Nc1c(Nc2ccc3cc([nH]c3c2)C(F)(F)F)c(=O)c1=O |r| Show InChI InChI=1S/C20H21F3N4O4/c1-10(4-2-3-5-15(28)27-31)24-16-17(19(30)18(16)29)25-12-7-6-11-8-14(20(21,22)23)26-13(11)9-12/h6-10,24-26,31H,2-5H2,1H3,(H,27,28)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestle Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method				Bioorg Med Chem Lett 28: 2985-2992 (2018) Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50355618 (CHEMBL1910852) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@@H](C1)Oc1ccccc1O |r| Show InChI InChI=1S/C29H34N2O3/c1-28(2,31-20-17-24(21-31)34-26-16-10-9-15-25(26)32)18-19-29(27(30)33,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,24,32H,17-21H2,1-2H3,(H2,30,33)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a...				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50355631 (CHEMBL1910865) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1F Show InChI InChI=1S/C28H31FN2O3/c1-27(2,31-18-22(19-31)34-24-15-9-14-23(32)25(24)29)16-17-28(26(30)33,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-15,22,32H,16-19H2,1-2H3,(H2,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.163	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]-NMS from human recombinant M3 receptor expressed in CHO cells after 24 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50355622 (CHEMBL1910856) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1 Show InChI InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.169	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]-NMS from human recombinant M5 receptor expressed in CHO cells after 24 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50355617 (CHEMBL1910851) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@@H](C1)Oc1cccc(O)c1 |r| Show InChI InChI=1S/C29H34N2O3/c1-28(2,31-19-16-26(21-31)34-25-15-9-14-24(32)20-25)17-18-29(27(30)33,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,20,26,32H,16-19,21H2,1-2H3,(H2,30,33)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.180	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]-NMS from human recombinant M3 receptor expressed in CHO cells after 24 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50355623 (CHEMBL1910857) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)OCc1cccc(O)c1 Show InChI InChI=1S/C29H34N2O3/c1-28(2,31-19-26(20-31)34-21-22-10-9-15-25(32)18-22)16-17-29(27(30)33,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-15,18,26,32H,16-17,19-21H2,1-2H3,(H2,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a...				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50355610 (CHEMBL1237108) Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:6.7:11.9.10,1:3:6.7:11.9.10,(10.09,.76,;9.35,2.05,;7.85,2.05,;10.09,3.35,;11.39,2.6,;10.09,4.89,;10.86,3.55,;10.3,2.58,;8.76,2.58,;7.43,3.35,;7.43,4.89,;8.76,5.66,;6.09,5.66,;6.09,7.2,;7.43,7.97,;4.76,7.97,;4.76,9.51,;3.43,10.28,;3.43,7.2,;3.43,5.66,;2.09,4.89,;.76,5.66,;.76,7.2,;2.09,7.97,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a...				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50355622 (CHEMBL1910856) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1 Show InChI InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a...				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50442142 (CHEMBL2441275) Show SMILES COc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2n1 |r,wU:25.26,wD:22.22,(34.29,-5.26,;33.51,-3.93,;31.98,-3.93,;31.04,-2.71,;29.52,-2.9,;28.92,-4.33,;27.47,-4.83,;27.5,-6.37,;26.29,-7.31,;26.32,-8.85,;25,-9.64,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.37,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;26.37,-11.93,;27.69,-11.14,;29.03,-11.88,;30.36,-11.09,;31.7,-11.84,;33.02,-11.06,;33,-9.52,;34.33,-8.73,;31.66,-8.77,;30.34,-9.56,;27.67,-9.6,;28.98,-6.82,;29.86,-5.55,;31.38,-5.35,)| Show InChI InChI=1S/C24H26N6O2S/c1-32-21-12-11-19-22(30-21)33-24(27-19)29-20-14-17(13-15-5-3-2-4-6-15)26-23(28-20)25-16-7-9-18(31)10-8-16/h2-6,11-12,14,16,18,31H,7-10,13H2,1H3,(H2,25,26,27,28,29)/t16-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human FLAG-tagged ITK using biotinylated GST-SAM68 as substrate after 30 mins				ACS Med Chem Lett 4: 948-52 (2013) Article DOI: 10.1021/ml400206q BindingDB Entry DOI: 10.7270/Q28P61Z7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50355616 (CHEMBL1910850) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@H](C1)Oc1cccc(O)c1 |r| Show InChI InChI=1S/C29H34N2O3/c1-28(2,31-19-16-26(21-31)34-25-15-9-14-24(32)20-25)17-18-29(27(30)33,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,20,26,32H,16-19,21H2,1-2H3,(H2,30,33)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.201	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]-NMS from human recombinant M3 receptor expressed in CHO cells after 24 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50355617 (CHEMBL1910851) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@@H](C1)Oc1cccc(O)c1 |r| Show InChI InChI=1S/C29H34N2O3/c1-28(2,31-19-16-26(21-31)34-25-15-9-14-24(32)20-25)17-18-29(27(30)33,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,20,26,32H,16-19,21H2,1-2H3,(H2,30,33)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a...				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50355610 (CHEMBL1237108) Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:6.7:11.9.10,1:3:6.7:11.9.10,(10.09,.76,;9.35,2.05,;7.85,2.05,;10.09,3.35,;11.39,2.6,;10.09,4.89,;10.86,3.55,;10.3,2.58,;8.76,2.58,;7.43,3.35,;7.43,4.89,;8.76,5.66,;6.09,5.66,;6.09,7.2,;7.43,7.97,;4.76,7.97,;4.76,9.51,;3.43,10.28,;3.43,7.2,;3.43,5.66,;2.09,4.89,;.76,5.66,;.76,7.2,;2.09,7.97,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.213	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]-NMS from human recombinant M3 receptor expressed in CHO cells after 24 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50355628 (CHEMBL1910862) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cc(O)cc(Cl)c1 Show InChI InChI=1S/C28H31ClN2O3/c1-27(2,31-18-25(19-31)34-24-16-22(29)15-23(32)17-24)13-14-28(26(30)33,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15-17,25,32H,13-14,18-19H2,1-2H3,(H2,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a...				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50463750 (CHEMBL4241807) Show SMILES ONC(=O)CCCCCNc1c(Nc2ccc(cc2)C(F)(F)F)c(=O)c1=O Show InChI InChI=1S/C17H18F3N3O4/c18-17(19,20)10-5-7-11(8-6-10)22-14-13(15(25)16(14)26)21-9-3-1-2-4-12(24)23-27/h5-8,21-22,27H,1-4,9H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestle Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method				Bioorg Med Chem Lett 28: 2985-2992 (2018) Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50355614 (CHEMBL1910846) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@@H](C1)Oc1ccccc1 |r| Show InChI InChI=1S/C29H34N2O2/c1-28(2,31-21-18-26(22-31)33-25-16-10-5-11-17-25)19-20-29(27(30)32,23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,26H,18-22H2,1-2H3,(H2,30,32)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a...				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50442143 (CHEMBL2441274) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(Cc2ccccc2)cc(Nc2nc3ccc(cc3s2)C#N)n1 |r,wU:1.0,wD:4.7,(23.68,-13.98,;22.35,-14.78,;22.37,-16.32,;21.05,-17.1,;19.71,-16.35,;19.69,-14.81,;21.01,-14.02,;18.39,-17.14,;17.04,-16.39,;15.72,-17.18,;14.38,-16.44,;13.04,-17.23,;11.71,-16.46,;11.71,-14.92,;10.38,-14.14,;9.04,-14.92,;9.04,-16.46,;10.38,-17.22,;14.35,-14.9,;15.67,-14.1,;15.65,-12.56,;16.85,-11.63,;16.82,-10.09,;18.27,-9.58,;18.87,-8.16,;20.4,-7.96,;21.33,-9.19,;20.73,-10.61,;19.2,-10.8,;18.33,-12.08,;22.85,-8.99,;24.37,-8.8,;17.02,-14.86,)| Show InChI InChI=1S/C25H24N6OS/c26-15-17-6-11-21-22(13-17)33-25(29-21)31-23-14-19(12-16-4-2-1-3-5-16)28-24(30-23)27-18-7-9-20(32)10-8-18/h1-6,11,13-14,18,20,32H,7-10,12H2,(H2,27,28,29,30,31)/t18-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human FLAG-tagged ITK using biotinylated GST-SAM68 as substrate after 30 mins				ACS Med Chem Lett 4: 948-52 (2013) Article DOI: 10.1021/ml400206q BindingDB Entry DOI: 10.7270/Q28P61Z7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50442141 (CHEMBL2441276) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(Cc2ccccc2)cc(Nc2nc3cccnc3s2)n1 |r,wU:1.0,wD:4.7,(34.33,-8.73,;33,-9.52,;33.02,-11.06,;31.7,-11.84,;30.36,-11.09,;30.34,-9.56,;31.66,-8.77,;29.03,-11.88,;27.69,-11.14,;26.37,-11.93,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.36,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;25,-9.64,;26.32,-8.85,;26.29,-7.31,;27.5,-6.37,;27.47,-4.83,;28.92,-4.33,;29.52,-2.9,;31.04,-2.71,;31.98,-3.93,;31.38,-5.35,;29.86,-5.55,;28.98,-6.82,;27.67,-9.6,)| Show InChI InChI=1S/C23H24N6OS/c30-18-10-8-16(9-11-18)25-22-26-17(13-15-5-2-1-3-6-15)14-20(28-22)29-23-27-19-7-4-12-24-21(19)31-23/h1-7,12,14,16,18,30H,8-11,13H2,(H2,25,26,27,28,29)/t16-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human FLAG-tagged ITK using biotinylated GST-SAM68 as substrate after 30 mins				ACS Med Chem Lett 4: 948-52 (2013) Article DOI: 10.1021/ml400206q BindingDB Entry DOI: 10.7270/Q28P61Z7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50355631 (CHEMBL1910865) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1F Show InChI InChI=1S/C28H31FN2O3/c1-27(2,31-18-22(19-31)34-24-15-9-14-23(32)25(24)29)16-17-28(26(30)33,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-15,22,32H,16-19H2,1-2H3,(H2,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a...				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50463753 (CHEMBL4250739) Show SMILES COc1ccc(Nc2c(NC(C)CCCCC(=O)NO)c(=O)c2=O)cc1 Show InChI InChI=1S/C18H23N3O5/c1-11(5-3-4-6-14(22)21-25)19-15-16(18(24)17(15)23)20-12-7-9-13(26-2)10-8-12/h7-11,19-20,25H,3-6H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestle Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method				Bioorg Med Chem Lett 28: 2985-2992 (2018) Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50463743 (CHEMBL4241370) Show SMILES CC(C)(CCCCC(=O)NO)Nc1c(Nc2ccc(cc2)C(F)(F)F)c(=O)c1=O Show InChI InChI=1S/C19H22F3N3O4/c1-18(2,10-4-3-5-13(26)25-29)24-15-14(16(27)17(15)28)23-12-8-6-11(7-9-12)19(20,21)22/h6-9,23-24,29H,3-5,10H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestle Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method				Bioorg Med Chem Lett 28: 2985-2992 (2018) Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50355611 (CHEMBL1910849) Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CCC(CC1)Oc1ccccc1 Show InChI InChI=1S/C30H36N2O2/c1-29(2,32-22-18-27(19-23-32)34-26-16-10-5-11-17-26)20-21-30(28(31)33,24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,27H,18-23H2,1-2H3,(H2,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a...				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50463752 (CHEMBL4247370) Show SMILES Cc1cc2ccc(Nc3c(NCCCCCC(=O)NO)c(=O)c3=O)cc2[nH]1 Show InChI InChI=1S/C19H22N4O4/c1-11-9-12-6-7-13(10-14(12)21-11)22-17-16(18(25)19(17)26)20-8-4-2-3-5-15(24)23-27/h6-7,9-10,20-22,27H,2-5,8H2,1H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestle Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method				Bioorg Med Chem Lett 28: 2985-2992 (2018) Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50463754 (CHEMBL4240635) Show SMILES CC(CCCCC(=O)NO)Nc1c(Nc2ccc(cc2)C(F)(F)F)c(=O)c1=O Show InChI InChI=1S/C18H20F3N3O4/c1-10(4-2-3-5-13(25)24-28)22-14-15(17(27)16(14)26)23-12-8-6-11(7-9-12)18(19,20)21/h6-10,22-23,28H,2-5H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestle Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method				Bioorg Med Chem Lett 28: 2985-2992 (2018) Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50355610 (CHEMBL1237108) Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:6.7:11.9.10,1:3:6.7:11.9.10,(10.09,.76,;9.35,2.05,;7.85,2.05,;10.09,3.35,;11.39,2.6,;10.09,4.89,;10.86,3.55,;10.3,2.58,;8.76,2.58,;7.43,3.35,;7.43,4.89,;8.76,5.66,;6.09,5.66,;6.09,7.2,;7.43,7.97,;4.76,7.97,;4.76,9.51,;3.43,10.28,;3.43,7.2,;3.43,5.66,;2.09,4.89,;.76,5.66,;.76,7.2,;2.09,7.97,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.290	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]-NMS from human recombinant M3 receptor expressed in CHO cells after 2 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50463740 (CHEMBL4251365) Show SMILES ONC(=O)CCCCCNc1c(Nc2ccccc2)c(=O)c1=O Show InChI InChI=1S/C16H19N3O4/c20-12(19-23)9-5-2-6-10-17-13-14(16(22)15(13)21)18-11-7-3-1-4-8-11/h1,3-4,7-8,17-18,23H,2,5-6,9-10H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestle Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method				Bioorg Med Chem Lett 28: 2985-2992 (2018) Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50442145 (CHEMBL2441271) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(Cc2ccccc2)cc(Nc2nc3ccc(Cl)cc3s2)n1 |r,wU:1.0,wD:4.7,(34.33,-8.73,;33,-9.52,;33.02,-11.06,;31.7,-11.84,;30.36,-11.09,;30.34,-9.56,;31.66,-8.77,;29.03,-11.88,;27.69,-11.14,;26.37,-11.93,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.37,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;25,-9.64,;26.32,-8.85,;26.29,-7.31,;27.5,-6.37,;27.47,-4.83,;28.92,-4.33,;29.52,-2.9,;31.04,-2.71,;31.98,-3.93,;33.51,-3.74,;31.38,-5.35,;29.86,-5.55,;28.98,-6.82,;27.67,-9.6,)| Show InChI InChI=1S/C24H24ClN5OS/c25-16-6-11-20-21(13-16)32-24(28-20)30-22-14-18(12-15-4-2-1-3-5-15)27-23(29-22)26-17-7-9-19(31)10-8-17/h1-6,11,13-14,17,19,31H,7-10,12H2,(H2,26,27,28,29,30)/t17-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human FLAG-tagged ITK using biotinylated GST-SAM68 as substrate after 30 mins				ACS Med Chem Lett 4: 948-52 (2013) Article DOI: 10.1021/ml400206q BindingDB Entry DOI: 10.7270/Q28P61Z7
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50463739 (CHEMBL4237803) Show SMILES COc1ccc(Nc2c(NCCCCCC(=O)NO)c(=O)c2=O)cc1 Show InChI InChI=1S/C17H21N3O5/c1-25-12-8-6-11(7-9-12)19-15-14(16(22)17(15)23)18-10-4-2-3-5-13(21)20-24/h6-9,18-19,24H,2-5,10H2,1H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestle Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate after 15 mins by fluorimetrc method				Bioorg Med Chem Lett 28: 2985-2992 (2018) Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50183715 (CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine TACE				Bioorg Med Chem Lett 16: 2699-704 (2006) Article DOI: 10.1016/j.bmcl.2006.02.015 BindingDB Entry DOI: 10.7270/Q2TB16H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50355610 (CHEMBL1237108) Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:6.7:11.9.10,1:3:6.7:11.9.10,(10.09,.76,;9.35,2.05,;7.85,2.05,;10.09,3.35,;11.39,2.6,;10.09,4.89,;10.86,3.55,;10.3,2.58,;8.76,2.58,;7.43,3.35,;7.43,4.89,;8.76,5.66,;6.09,5.66,;6.09,7.2,;7.43,7.97,;4.76,7.97,;4.76,9.51,;3.43,10.28,;3.43,7.2,;3.43,5.66,;2.09,4.89,;.76,5.66,;.76,7.2,;2.09,7.97,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.382	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]-NMS from human recombinant M4 receptor expressed in CHO cells after 24 hrs by filter binding assay				J Med Chem 54: 6888-904 (2011) Article DOI: 10.1021/jm200884j BindingDB Entry DOI: 10.7270/Q2CZ37JW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50463763 (CHEMBL4248374) Show SMILES Cc1cccc(Nc2c(NCCCCCC(=O)NO)c(=O)c2=O)c1 Show InChI InChI=1S/C17H21N3O4/c1-11-6-5-7-12(10-11)19-15-14(16(22)17(15)23)18-9-4-2-3-8-13(21)20-24/h5-7,10,18-19,24H,2-4,8-9H2,1H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestle Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method				Bioorg Med Chem Lett 28: 2985-2992 (2018) Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T
					More data for this Ligand-Target Pair

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