Compile Data Set for Download or QSAR

Found 1028 hits with Last Name = 'melancon' and Initial = 'bj'   

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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM197336 (R-TSA) Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.67	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Miescher Institute for Biomedical Research					Assay Description . Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...				Nat Chem Biol 12: 748-54 (2016) Article DOI: 10.1038/nchembio.2140 BindingDB Entry DOI: 10.7270/Q2V986V6
					More data for this Ligand-Target Pair
Histone deacetylase 6 [25-831] (Danio rerio (Zebrafish))	BDBM197336 (R-TSA) Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.45	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Miescher Institute for Biomedical Research					Assay Description . Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...				Nat Chem Biol 12: 748-54 (2016) Article DOI: 10.1038/nchembio.2140 BindingDB Entry DOI: 10.7270/Q2V986V6
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM197336 (R-TSA) Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.76	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Miescher Institute for Biomedical Research					Assay Description . Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...				Nat Chem Biol 12: 748-54 (2016) Article DOI: 10.1038/nchembio.2140 BindingDB Entry DOI: 10.7270/Q2V986V6
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50243109 (5-(2-m-tolylethynyl)pyrimidine | 5-(m-tolylethynyl...) Show SMILES Cc1cccc(c1)C#Cc1cncnc1 Show InChI InChI=1S/C13H10N2/c1-11-3-2-4-12(7-11)5-6-13-8-14-10-15-9-13/h2-4,7-10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation activity at mGlu5 receptor				J Med Chem 55: 1445-64 (2012) Article DOI: 10.1021/jm201139r BindingDB Entry DOI: 10.7270/Q25D8SWH
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM197336 (R-TSA) Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.09	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Miescher Institute for Biomedical Research					Assay Description . Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...				Nat Chem Biol 12: 748-54 (2016) Article DOI: 10.1038/nchembio.2140 BindingDB Entry DOI: 10.7270/Q2V986V6
					More data for this Ligand-Target Pair
Histone deacetylase 6 [25-831] (Danio rerio (Zebrafish))	BDBM197337 (S-TSA) Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.88	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Miescher Institute for Biomedical Research					Assay Description . Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...				Nat Chem Biol 12: 748-54 (2016) Article DOI: 10.1038/nchembio.2140 BindingDB Entry DOI: 10.7270/Q2V986V6
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM197337 (S-TSA) Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11.1	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Miescher Institute for Biomedical Research					Assay Description . Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...				Nat Chem Biol 12: 748-54 (2016) Article DOI: 10.1038/nchembio.2140 BindingDB Entry DOI: 10.7270/Q2V986V6
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM197336 (R-TSA) Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17.8	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Miescher Institute for Biomedical Research					Assay Description . Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...				Nat Chem Biol 12: 748-54 (2016) Article DOI: 10.1038/nchembio.2140 BindingDB Entry DOI: 10.7270/Q2V986V6
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM197336 (R-TSA) Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29.2	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Miescher Institute for Biomedical Research					Assay Description . Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...				Nat Chem Biol 12: 748-54 (2016) Article DOI: 10.1038/nchembio.2140 BindingDB Entry DOI: 10.7270/Q2V986V6
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM50024253 (CHEMBL3334887) Show SMILES CCOC(=O)c1ccc(cc1)-c1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C24H21NO2/c1-2-27-24(26)20-14-12-19(13-15-20)22-17-25(16-18-8-4-3-5-9-18)23-11-7-6-10-21(22)23/h3-15,17H,2,16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Northwest Agriculture& Forestry University Curated by ChEMBL					Assay Description Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...				Bioorg Med Chem Lett 24: 4708-13 (2014) Article DOI: 10.1016/j.bmcl.2014.08.021 BindingDB Entry DOI: 10.7270/Q29P336C
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50518702 (CHEMBL4576513) Show SMILES Cc1nc2sc3c(NCc4ccco4)nn(C)c3c2c(C)c1Cl Show InChI InChI=1S/C16H15ClN4OS/c1-8-11-13-14(23-16(11)19-9(2)12(8)17)15(20-21(13)3)18-7-10-5-4-6-22-10/h4-6H,7H2,1-3H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 29: 362-366 (2019) Article DOI: 10.1016/j.bmcl.2018.12.039 BindingDB Entry DOI: 10.7270/Q2C53Q7Q
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50518710 (CHEMBL4522777) Show SMILES Cc1nc2sc3c(NCC4CC4)nn(C)c3c2c(C)c1Cl Show InChI InChI=1S/C15H17ClN4S/c1-7-10-12-13(21-15(10)18-8(2)11(7)16)14(19-20(12)3)17-6-9-4-5-9/h9H,4-6H2,1-3H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 29: 362-366 (2019) Article DOI: 10.1016/j.bmcl.2018.12.039 BindingDB Entry DOI: 10.7270/Q2C53Q7Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387763 (CHEMBL2057775) Show SMILES Cc1cc(ccn1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C23H25N5O3S/c1-17-13-20(5-8-25-17)26-9-11-27(12-10-26)23(29)19-15-28(16-19)32(30,31)22-4-2-3-18-14-24-7-6-21(18)22/h2-8,13-14,19H,9-12,15-16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387762 (CHEMBL2057513) Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C22H23N5O3S/c28-22(26-12-10-25(11-13-26)19-4-7-23-8-5-19)18-15-27(16-18)31(29,30)21-3-1-2-17-14-24-9-6-20(17)21/h1-9,14,18H,10-13,15-16H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387763 (CHEMBL2057775) Show SMILES Cc1cc(ccn1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C23H25N5O3S/c1-17-13-20(5-8-25-17)26-9-11-27(12-10-26)23(29)19-15-28(16-19)32(30,31)22-4-2-3-18-14-24-7-6-21(18)22/h2-8,13-14,19H,9-12,15-16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387762 (CHEMBL2057513) Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C22H23N5O3S/c28-22(26-12-10-25(11-13-26)19-4-7-23-8-5-19)18-15-27(16-18)31(29,30)21-3-1-2-17-14-24-9-6-20(17)21/h1-9,14,18H,10-13,15-16H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387764 (CHEMBL2057512) Show SMILES O=C(C1CN(C1)S(=O)(=O)c1ccc2OCCc2c1)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C21H24N4O4S/c26-21(24-10-8-23(9-11-24)18-3-6-22-7-4-18)17-14-25(15-17)30(27,28)19-1-2-20-16(13-19)5-12-29-20/h1-4,6-7,13,17H,5,8-12,14-15H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM50024254 (CHEMBL125021) Show SMILES CCOC(=O)c1ccc(cc1)-c1nn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C23H20N2O2/c1-2-27-23(26)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)25(24-22)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Northwest Agriculture& Forestry University Curated by ChEMBL					Assay Description Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...				Bioorg Med Chem Lett 24: 4708-13 (2014) Article DOI: 10.1016/j.bmcl.2014.08.021 BindingDB Entry DOI: 10.7270/Q29P336C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387764 (CHEMBL2057512) Show SMILES O=C(C1CN(C1)S(=O)(=O)c1ccc2OCCc2c1)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C21H24N4O4S/c26-21(24-10-8-23(9-11-24)18-3-6-22-7-4-18)17-14-25(15-17)30(27,28)19-1-2-20-16(13-19)5-12-29-20/h1-4,6-7,13,17H,5,8-12,14-15H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM50024252 (CHEMBL1609104) Show SMILES Cn1c(CO)c(-c2ccccc2)c2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C16H14N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Northwest Agriculture& Forestry University Curated by ChEMBL					Assay Description Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...				Bioorg Med Chem Lett 24: 4708-13 (2014) Article DOI: 10.1016/j.bmcl.2014.08.021 BindingDB Entry DOI: 10.7270/Q29P336C
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50207516 (CHEMBL3942511) Show SMILES Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(F)(F)(F)(F)F)c(N)c2c1C Show InChI InChI=1S/C16H15F5N4OS2/c1-8-9(2)24-25-16-12(8)13(22)14(27-16)15(26)23-7-10-3-5-11(6-4-10)28(17,18,19,20)21/h3-6H,7,22H2,1-2H3,(H,23,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [125I]-RTI-55 from recombinant human DAT expressed in CHO-S cells				Bioorg Med Chem Lett 27: 171-175 (2017) Article DOI: 10.1016/j.bmcl.2016.11.086 BindingDB Entry DOI: 10.7270/Q2WM1GC0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50207463 (CHEMBL3963788) Show SMILES Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)F)c(N)c2c1C Show InChI InChI=1S/C17H16F2N4O3S2/c1-8-9(2)22-23-16-12(8)13(20)14(27-16)15(24)21-7-10-3-5-11(6-4-10)28(25,26)17(18)19/h3-6,17H,7,20H2,1-2H3,(H,21,24)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [125I]-RTI-55 from recombinant human DAT expressed in CHO-S cells				Bioorg Med Chem Lett 27: 171-175 (2017) Article DOI: 10.1016/j.bmcl.2016.11.086 BindingDB Entry DOI: 10.7270/Q2WM1GC0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387765 (CHEMBL2057772) Show SMILES Clc1cc(ccn1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C22H22ClN5O3S/c23-21-12-18(4-7-25-21)26-8-10-27(11-9-26)22(29)17-14-28(15-17)32(30,31)20-3-1-2-16-13-24-6-5-19(16)20/h1-7,12-13,17H,8-11,14-15H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50362394 (CHEMBL1940125) Show SMILES O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C21H23N5O3S/c27-21(26-15-13-25(14-16-26)17-6-10-22-11-7-17)8-12-24-30(28,29)20-5-1-4-19-18(20)3-2-9-23-19/h1-7,9-11,24H,8,12-16H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fluo...				Bioorg Med Chem Lett 22: 1044-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.110 BindingDB Entry DOI: 10.7270/Q2XS5VVC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387765 (CHEMBL2057772) Show SMILES Clc1cc(ccn1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C22H22ClN5O3S/c23-21-12-18(4-7-25-21)26-8-10-27(11-9-26)22(29)17-14-28(15-17)32(30,31)20-3-1-2-16-13-24-6-5-19(16)20/h1-7,12-13,17H,8-11,14-15H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM197337 (S-TSA) Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Miescher Institute for Biomedical Research					Assay Description . Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...				Nat Chem Biol 12: 748-54 (2016) Article DOI: 10.1038/nchembio.2140 BindingDB Entry DOI: 10.7270/Q2V986V6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387760 (CHEMBL2057776) Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CC2CN(CC2C1)c1ccncc1 Show InChI InChI=1S/C24H25N5O3S/c30-24(28-13-18-11-27(12-19(18)14-28)21-4-7-25-8-5-21)20-15-29(16-20)33(31,32)23-3-1-2-17-10-26-9-6-22(17)23/h1-10,18-20H,11-16H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387760 (CHEMBL2057776) Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CC2CN(CC2C1)c1ccncc1 Show InChI InChI=1S/C24H25N5O3S/c30-24(28-13-18-11-27(12-19(18)14-28)21-4-7-25-8-5-21)20-15-29(16-20)33(31,32)23-3-1-2-17-10-26-9-6-22(17)23/h1-10,18-20H,11-16H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50362367 (CHEMBL1628667) Show SMILES O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C18H20N6O3S2/c25-17(24-12-10-23(11-13-24)14-4-7-19-8-5-14)6-9-20-29(26,27)16-3-1-2-15-18(16)22-28-21-15/h1-5,7-8,20H,6,9-13H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fluo...				Bioorg Med Chem Lett 22: 1044-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.110 BindingDB Entry DOI: 10.7270/Q2XS5VVC
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM50024255 (CHEMBL3334944) Show SMILES CCCNCc1c(-c2ccccc2)c2cc(ccc2n1C)[N+]([O-])=O Show InChI InChI=1S/C19H21N3O2/c1-3-11-20-13-18-19(14-7-5-4-6-8-14)16-12-15(22(23)24)9-10-17(16)21(18)2/h4-10,12,20H,3,11,13H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	279	n/a	n/a	n/a	n/a	n/a	n/a
Northwest Agriculture& Forestry University Curated by ChEMBL					Assay Description Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...				Bioorg Med Chem Lett 24: 4708-13 (2014) Article DOI: 10.1016/j.bmcl.2014.08.021 BindingDB Entry DOI: 10.7270/Q29P336C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387766 (CHEMBL2057508) Show SMILES Cc1cc(cnc1Cl)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C19H22ClN5O3S/c1-14-10-17(11-22-18(14)20)29(27,28)25-12-15(13-25)19(26)24-8-6-23(7-9-24)16-2-4-21-5-3-16/h2-5,10-11,15H,6-9,12-13H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	309	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387766 (CHEMBL2057508) Show SMILES Cc1cc(cnc1Cl)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C19H22ClN5O3S/c1-14-10-17(11-22-18(14)20)29(27,28)25-12-15(13-25)19(26)24-8-6-23(7-9-24)16-2-4-21-5-3-16/h2-5,10-11,15H,6-9,12-13H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM197337 (S-TSA) Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	312	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Miescher Institute for Biomedical Research					Assay Description . Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...				Nat Chem Biol 12: 748-54 (2016) Article DOI: 10.1038/nchembio.2140 BindingDB Entry DOI: 10.7270/Q2V986V6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50362377 (CHEMBL1939962) Show SMILES Brc1ccc(nc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12 Show InChI InChI=1S/C18H19BrN6O3S2/c19-13-4-5-16(20-12-13)24-8-10-25(11-9-24)17(26)6-7-21-30(27,28)15-3-1-2-14-18(15)23-29-22-14/h1-5,12,21H,6-11H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 1044-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.110 BindingDB Entry DOI: 10.7270/Q2XS5VVC
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM197337 (S-TSA) Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	321	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Miescher Institute for Biomedical Research					Assay Description . Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...				Nat Chem Biol 12: 748-54 (2016) Article DOI: 10.1038/nchembio.2140 BindingDB Entry DOI: 10.7270/Q2V986V6
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM50024258 (CHEMBL3334941) Show SMILES Cn1c(COCc2ccccc2)c(-c2ccccc2)c2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C23H20N2O3/c1-24-21-13-12-19(25(26)27)14-20(21)23(18-10-6-3-7-11-18)22(24)16-28-15-17-8-4-2-5-9-17/h2-14H,15-16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	336	n/a	n/a	n/a	n/a	n/a	n/a
Northwest Agriculture& Forestry University Curated by ChEMBL					Assay Description Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...				Bioorg Med Chem Lett 24: 4708-13 (2014) Article DOI: 10.1016/j.bmcl.2014.08.021 BindingDB Entry DOI: 10.7270/Q29P336C
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50249435 (CHEMBL4070692) Show SMILES Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccncc3)c(N)c2c1C Show InChI InChI=1S/C21H19N5OS/c1-12-13(2)25-26-21-17(12)18(22)19(28-21)20(27)24-11-14-3-5-15(6-4-14)16-7-9-23-10-8-16/h3-10H,11,22H2,1-2H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Induction of CYP3A4 in cryopreserved human hepatocytes measured after 48 hrs				Bioorg Med Chem Lett 27: 2296-2301 (2017) Article DOI: 10.1016/j.bmcl.2017.04.043 BindingDB Entry DOI: 10.7270/Q23B62J8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387767 (CHEMBL2057506) Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccnc1)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C18H21N5O3S/c24-18(22-10-8-21(9-11-22)16-3-6-19-7-4-16)15-13-23(14-15)27(25,26)17-2-1-5-20-12-17/h1-7,12,15H,8-11,13-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387767 (CHEMBL2057506) Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccnc1)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C18H21N5O3S/c24-18(22-10-8-21(9-11-22)16-3-6-19-7-4-16)15-13-23(14-15)27(25,26)17-2-1-5-20-12-17/h1-7,12,15H,8-11,13-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	372	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50362394 (CHEMBL1940125) Show SMILES O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C21H23N5O3S/c27-21(26-15-13-25(14-16-26)17-6-10-22-11-7-17)8-12-24-30(28,29)20-5-1-4-19-18(20)3-2-9-23-19/h1-7,9-11,24H,8,12-16H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 1044-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.110 BindingDB Entry DOI: 10.7270/Q2XS5VVC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50362394 (CHEMBL1940125) Show SMILES O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C21H23N5O3S/c27-21(26-15-13-25(14-16-26)17-6-10-22-11-7-17)8-12-24-30(28,29)20-5-1-4-19-18(20)3-2-9-23-19/h1-7,9-11,24H,8,12-16H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM197337 (S-TSA) Show SMILES C[C@@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	403	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Miescher Institute for Biomedical Research					Assay Description . Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...				Nat Chem Biol 12: 748-54 (2016) Article DOI: 10.1038/nchembio.2140 BindingDB Entry DOI: 10.7270/Q2V986V6
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM197336 (R-TSA) Show SMILES C[C@H](\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	411	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Miescher Institute for Biomedical Research					Assay Description . Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD...				Nat Chem Biol 12: 748-54 (2016) Article DOI: 10.1038/nchembio.2140 BindingDB Entry DOI: 10.7270/Q2V986V6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387803 (CHEMBL2058898) Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2nonc12)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C19H20N6O4S/c26-19(24-10-8-23(9-11-24)15-4-6-20-7-5-15)14-12-25(13-14)30(27,28)17-3-1-2-16-18(17)22-29-21-16/h1-7,14H,8-13H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50243108 (5-(phenylethynyl)pyrimidine | CHEMBL486244) Show SMILES c1ccc(cc1)C#Cc1cncnc1 Show InChI InChI=1S/C12H8N2/c1-2-4-11(5-3-1)6-7-12-8-13-10-14-9-12/h1-5,8-10H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	486	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation activity at mGlu5 receptor				J Med Chem 55: 1445-64 (2012) Article DOI: 10.1021/jm201139r BindingDB Entry DOI: 10.7270/Q25D8SWH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387768 (CHEMBL2057507) Show SMILES Clc1ccc(cn1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C18H20ClN5O3S/c19-17-2-1-16(11-21-17)28(26,27)24-12-14(13-24)18(25)23-9-7-22(8-10-23)15-3-5-20-6-4-15/h1-6,11,14H,7-10,12-13H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387768 (CHEMBL2057507) Show SMILES Clc1ccc(cn1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C18H20ClN5O3S/c19-17-2-1-16(11-21-17)28(26,27)24-12-14(13-24)18(25)23-9-7-22(8-10-23)15-3-5-20-6-4-15/h1-6,11,14H,7-10,12-13H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387769 (CHEMBL2057774) Show SMILES Cc1cnccc1N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C23H25N5O3S/c1-17-13-24-8-6-21(17)26-9-11-27(12-10-26)23(29)19-15-28(16-19)32(30,31)22-4-2-3-18-14-25-7-5-20(18)22/h2-8,13-14,19H,9-12,15-16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50387769 (CHEMBL2057774) Show SMILES Cc1cnccc1N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C23H25N5O3S/c1-17-13-24-8-6-21(17)26-9-11-27(12-10-26)23(29)19-15-28(16-19)32(30,31)22-4-2-3-18-14-25-7-5-20(18)22/h2-8,13-14,19H,9-12,15-16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	513	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...				Bioorg Med Chem Lett 22: 5035-40 (2012) Article DOI: 10.1016/j.bmcl.2012.06.018 BindingDB Entry DOI: 10.7270/Q2KW5H39
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50207516 (CHEMBL3942511) Show SMILES Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(F)(F)(F)(F)F)c(N)c2c1C Show InChI InChI=1S/C16H15F5N4OS2/c1-8-9(2)24-25-16-12(8)13(22)14(27-16)15(26)23-7-10-3-5-11(6-4-10)28(17,18,19,20)21/h3-6H,7,22H2,1-2H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]-Paroxetine from recombinant human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 27: 171-175 (2017) Article DOI: 10.1016/j.bmcl.2016.11.086 BindingDB Entry DOI: 10.7270/Q2WM1GC0
					More data for this Ligand-Target Pair

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