Compile Data Set for Download or QSAR

Found 119 hits with Last Name = 'shivakumar' and Initial = 'd'   

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))	BDBM50199118 (CHEMBL3894825) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)OCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H24F4N4O5S/c1-25(2)23(37)33(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)34(25)17-9-10-18(20(27)13-17)22(36)39-11-5-3-4-6-21(35)32-38/h7-10,12-13,38H,3-6,11H2,1-2H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50425732 (ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...) Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [18F]-FDHT from androgen receptor in human LNCAP/AR cells				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50199115 (CHEMBL3921621) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCn2cccc(O)c2=S)c(F)c1 Show InChI InChI=1S/C31H29F4N5O3S2/c1-30(2)28(43)39(20-10-9-19(18-36)23(16-20)31(33,34)35)29(45)40(30)21-11-12-22(24(32)17-21)26(42)37-13-5-3-4-6-14-38-15-7-8-25(41)27(38)44/h7-12,15-17,41H,3-6,13-14H2,1-2H3,(H,37,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50199116 (CHEMBL3948543) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCC(=O)Nc2ccccc2N)c(F)c1 Show InChI InChI=1S/C33H32F4N6O3S/c1-32(2)30(46)42(21-13-12-20(19-38)24(17-21)33(35,36)37)31(47)43(32)22-14-15-23(25(34)18-22)29(45)40-16-8-4-3-5-11-28(44)41-27-10-7-6-9-26(27)39/h6-7,9-10,12-15,17-18H,3-5,8,11,16,39H2,1-2H3,(H,40,45)(H,41,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50199117 (CHEMBL3983635) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H25F4N5O4S/c1-25(2)23(38)34(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)35(25)17-9-10-18(20(27)13-17)22(37)32-11-5-3-4-6-21(36)33-39/h7-10,12-13,39H,3-6,11H2,1-2H3,(H,32,37)(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50199122 (CHEMBL3926959) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(Cn2ccc3cc(\C=C\C(=O)NO)ccc23)c(F)c1 Show InChI InChI=1S/C31H23F4N5O3S/c1-30(2)28(42)39(22-7-5-20(16-36)24(14-22)31(33,34)35)29(44)40(30)23-8-6-21(25(32)15-23)17-38-12-11-19-13-18(3-9-26(19)38)4-10-27(41)37-43/h3-15,43H,17H2,1-2H3,(H,37,41)/b10-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50199111 (CHEMBL3979648) Show SMILES COC(=O)CCCCCCCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C28H29F4N3O3S/c1-27(2)25(37)34(20-13-12-19(17-33)22(15-20)28(30,31)32)26(39)35(27)21-14-11-18(23(29)16-21)9-7-5-4-6-8-10-24(36)38-3/h11-16H,4-10H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50199117 (CHEMBL3983635) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H25F4N5O4S/c1-25(2)23(38)34(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)35(25)17-9-10-18(20(27)13-17)22(37)32-11-5-3-4-6-21(36)33-39/h7-10,12-13,39H,3-6,11H2,1-2H3,(H,32,37)(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50199118 (CHEMBL3894825) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)OCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H24F4N4O5S/c1-25(2)23(37)33(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)34(25)17-9-10-18(20(27)13-17)22(36)39-11-5-3-4-6-21(35)32-38/h7-10,12-13,38H,3-6,11H2,1-2H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 3 (Plasmodium falciparum)	BDBM50448248 (CHEMBL3120847) Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C24H28N2O6/c27-15-22(29)20(12-11-17-7-3-1-4-8-17)25-23(30)21-13-19(28)14-26(21)24(31)32-16-18-9-5-2-6-10-18/h1-10,19-21,27-28H,11-16H2,(H,25,30)/t19-,20+,21+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-3				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50199121 (CHEMBL3908221) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCc2ccc(s2)C(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C32H27F7N4O3S2/c1-30(2)28(46)42(19-9-8-18(17-40)23(15-19)31(34,35)36)29(47)43(30)20-10-12-22(24(33)16-20)27(45)41-14-6-4-3-5-7-21-11-13-25(48-21)26(44)32(37,38)39/h8-13,15-16H,3-7,14H2,1-2H3,(H,41,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50199114 (CHEMBL3966165) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCOCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C25H23F4N5O5S/c1-24(2)22(37)33(15-4-3-14(13-30)18(11-15)25(27,28)29)23(40)34(24)16-5-6-17(19(26)12-16)21(36)31-8-10-39-9-7-20(35)32-38/h3-6,11-12,38H,7-10H2,1-2H3,(H,31,36)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50448248 (CHEMBL3120847) Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C24H28N2O6/c27-15-22(29)20(12-11-17-7-3-1-4-8-17)25-23(30)21-13-19(28)14-26(21)24(31)32-16-18-9-5-2-6-10-18/h1-10,19-21,27-28H,11-16H2,(H,25,30)/t19-,20+,21+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-2				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50199123 (CHEMBL3903756) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCNS(N)(=O)=O)c(F)c1 Show InChI InChI=1S/C26H28F4N6O4S2/c1-25(2)23(38)35(17-8-7-16(15-31)20(13-17)26(28,29)30)24(41)36(25)18-9-10-19(21(27)14-18)22(37)33-11-5-3-4-6-12-34-42(32,39)40/h7-10,13-14,34H,3-6,11-12H2,1-2H3,(H,33,37)(H2,32,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50199111 (CHEMBL3979648) Show SMILES COC(=O)CCCCCCCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C28H29F4N3O3S/c1-27(2)25(37)34(20-13-12-19(17-33)22(15-20)28(30,31)32)26(39)35(27)21-14-11-18(23(29)16-21)9-7-5-4-6-8-10-24(36)38-3/h11-16H,4-10H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50199119 (CHEMBL3948452) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(\C=C\C(=O)Nc2ccccc2N)c(F)c1 Show InChI InChI=1S/C28H21F4N5O2S/c1-27(2)25(39)36(18-10-8-17(15-33)20(13-18)28(30,31)32)26(40)37(27)19-11-7-16(21(29)14-19)9-12-24(38)35-23-6-4-3-5-22(23)34/h3-14H,34H2,1-2H3,(H,35,38)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50199112 (CHEMBL3912767) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCn2cccc(O)c2=O)c(F)c1 Show InChI InChI=1S/C31H29F4N5O4S/c1-30(2)28(44)39(20-10-9-19(18-36)23(16-20)31(33,34)35)29(45)40(30)21-11-12-22(24(32)17-21)26(42)37-13-5-3-4-6-14-38-15-7-8-25(41)27(38)43/h7-12,15-17,41H,3-6,13-14H2,1-2H3,(H,37,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50199116 (CHEMBL3948543) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCC(=O)Nc2ccccc2N)c(F)c1 Show InChI InChI=1S/C33H32F4N6O3S/c1-32(2)30(46)42(21-13-12-20(19-38)24(17-21)33(35,36)37)31(47)43(32)22-14-15-23(25(34)18-22)29(45)40-16-8-4-3-5-11-28(44)41-27-10-7-6-9-26(27)39/h6-7,9-10,12-15,17-18H,3-5,8,11,16,39H2,1-2H3,(H,40,45)(H,41,44)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50199113 (CHEMBL3955013) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)Nc2ccccc2N)c(F)c1 Show InChI InChI=1S/C26H19F4N5O2S/c1-25(2)23(37)34(15-8-7-14(13-31)18(11-15)26(28,29)30)24(38)35(25)16-9-10-17(19(27)12-16)22(36)33-21-6-4-3-5-20(21)32/h3-12H,32H2,1-2H3,(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50199124 (CHEMBL3974665) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCNS(N)(=O)=O)c(F)c1 Show InChI InChI=1S/C23H22F4N6O4S2/c1-22(2)20(35)32(14-5-4-13(12-28)17(10-14)23(25,26)27)21(38)33(22)15-6-7-16(18(24)11-15)19(34)30-8-3-9-31-39(29,36)37/h4-7,10-11,31H,3,8-9H2,1-2H3,(H,30,34)(H2,29,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50199114 (CHEMBL3966165) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCOCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C25H23F4N5O5S/c1-24(2)22(37)33(15-4-3-14(13-30)18(11-15)25(27,28)29)23(40)34(24)16-5-6-17(19(26)12-16)21(36)31-8-10-39-9-7-20(35)32-38/h3-6,11-12,38H,7-10H2,1-2H3,(H,31,36)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	495	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 3 (Plasmodium falciparum)	BDBM50448247 (CHEMBL3120848) Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1 |r| Show InChI InChI=1S/C33H38N2O5S/c36-28-21-30(35(22-28)33(39)40-23-27-15-8-3-9-16-27)32(38)34-29(19-18-26-13-6-2-7-14-26)31(37)24-41-20-10-17-25-11-4-1-5-12-25/h1-9,11-16,28-30,36H,10,17-24H2,(H,34,38)/t28-,29+,30+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG 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
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-3				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 3 (Plasmodium falciparum)	BDBM50448261 (CHEMBL3120834) Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C26H32N2O5/c29-17-24(30)23(16-15-19-9-3-1-4-10-19)27-25(31)21-13-7-8-14-22(21)28-26(32)33-18-20-11-5-2-6-12-20/h1-6,9-12,21-23,29H,7-8,13-18H2,(H,27,31)(H,28,32)/t21-,22+,23+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-3				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50199120 (CHEMBL3982650) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCn2cccc(O)c2=O)c(F)c1 Show InChI InChI=1S/C28H23F4N5O4S/c1-27(2)25(41)36(17-7-6-16(15-33)20(13-17)28(30,31)32)26(42)37(27)18-8-9-19(21(29)14-18)23(39)34-10-4-12-35-11-3-5-22(38)24(35)40/h3,5-9,11,13-14,38H,4,10,12H2,1-2H3,(H,34,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 3 (Plasmodium falciparum)	BDBM50448260 (CHEMBL3120835) Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C26H32N2O5/c29-17-24(30)23(16-15-19-9-3-1-4-10-19)27-25(31)21-13-7-8-14-22(21)28-26(32)33-18-20-11-5-2-6-12-20/h1-6,9-12,21-23,29H,7-8,13-18H2,(H,27,31)(H,28,32)/t21-,22+,23-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-3				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50448247 (CHEMBL3120848) Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1 |r| Show InChI InChI=1S/C33H38N2O5S/c36-28-21-30(35(22-28)33(39)40-23-27-15-8-3-9-16-27)32(38)34-29(19-18-26-13-6-2-7-14-26)31(37)24-41-20-10-17-25-11-4-1-5-12-25/h1-9,11-16,28-30,36H,10,17-24H2,(H,34,38)/t28-,29+,30+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-2				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50199118 (CHEMBL3894825) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)OCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H24F4N4O5S/c1-25(2)23(37)33(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)34(25)17-9-10-18(20(27)13-17)22(36)39-11-5-3-4-6-21(35)32-38/h7-10,12-13,38H,3-6,11H2,1-2H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50199123 (CHEMBL3903756) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCNS(N)(=O)=O)c(F)c1 Show InChI InChI=1S/C26H28F4N6O4S2/c1-25(2)23(38)35(17-8-7-16(15-31)20(13-17)26(28,29)30)24(41)36(25)18-9-10-19(21(27)14-18)22(37)33-11-5-3-4-6-12-34-42(32,39)40/h7-10,13-14,34H,3-6,11-12H2,1-2H3,(H,33,37)(H2,32,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50199117 (CHEMBL3983635) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H25F4N5O4S/c1-25(2)23(38)34(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)35(25)17-9-10-18(20(27)13-17)22(37)32-11-5-3-4-6-21(36)33-39/h7-10,12-13,39H,3-6,11H2,1-2H3,(H,32,37)(H,33,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50199118 (CHEMBL3894825) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)OCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H24F4N4O5S/c1-25(2)23(37)33(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)34(25)17-9-10-18(20(27)13-17)22(36)39-11-5-3-4-6-21(35)32-38/h7-10,12-13,38H,3-6,11H2,1-2H3,(H,32,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50199122 (CHEMBL3926959) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(Cn2ccc3cc(\C=C\C(=O)NO)ccc23)c(F)c1 Show InChI InChI=1S/C31H23F4N5O3S/c1-30(2)28(42)39(22-7-5-20(16-36)24(14-22)31(33,34)35)29(44)40(30)23-8-6-21(25(32)15-23)17-38-12-11-19-13-18(3-9-26(19)38)4-10-27(41)37-43/h3-15,43H,17H2,1-2H3,(H,37,41)/b10-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50199117 (CHEMBL3983635) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H25F4N5O4S/c1-25(2)23(38)34(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)35(25)17-9-10-18(20(27)13-17)22(37)32-11-5-3-4-6-21(36)33-39/h7-10,12-13,39H,3-6,11H2,1-2H3,(H,32,37)(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50199117 (CHEMBL3983635) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H25F4N5O4S/c1-25(2)23(38)34(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)35(25)17-9-10-18(20(27)13-17)22(37)32-11-5-3-4-6-21(36)33-39/h7-10,12-13,39H,3-6,11H2,1-2H3,(H,32,37)(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50199118 (CHEMBL3894825) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)OCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H24F4N4O5S/c1-25(2)23(37)33(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)34(25)17-9-10-18(20(27)13-17)22(36)39-11-5-3-4-6-21(35)32-38/h7-10,12-13,38H,3-6,11H2,1-2H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50448253 (CHEMBL3120842) Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCSCC1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C25H30N2O5S/c28-17-22(29)21(12-11-19-7-3-1-4-8-19)26-23(30)25(13-15-33-16-14-25)27-24(31)32-18-20-9-5-2-6-10-20/h1-10,21,28H,11-18H2,(H,26,30)(H,27,31)/t21-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-2				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50199115 (CHEMBL3921621) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCn2cccc(O)c2=S)c(F)c1 Show InChI InChI=1S/C31H29F4N5O3S2/c1-30(2)28(43)39(20-10-9-19(18-36)23(16-20)31(33,34)35)29(45)40(30)21-11-12-22(24(32)17-21)26(42)37-13-5-3-4-6-14-38-15-7-8-25(41)27(38)44/h7-12,15-17,41H,3-6,13-14H2,1-2H3,(H,37,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50199116 (CHEMBL3948543) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCC(=O)Nc2ccccc2N)c(F)c1 Show InChI InChI=1S/C33H32F4N6O3S/c1-32(2)30(46)42(21-13-12-20(19-38)24(17-21)33(35,36)37)31(47)43(32)22-14-15-23(25(34)18-22)29(45)40-16-8-4-3-5-11-28(44)41-27-10-7-6-9-26(27)39/h6-7,9-10,12-15,17-18H,3-5,8,11,16,39H2,1-2H3,(H,40,45)(H,41,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 3 (Plasmodium falciparum)	BDBM50448246 (CHEMBL3120849) Show SMILES CC(=O)SCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C26H30N2O6S/c1-18(29)35-17-24(31)22(13-12-19-8-4-2-5-9-19)27-25(32)23-14-21(30)15-28(23)26(33)34-16-20-10-6-3-7-11-20/h2-11,21-23,30H,12-17H2,1H3,(H,27,32)/t21-,22+,23+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-3				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50448260 (CHEMBL3120835) Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C26H32N2O5/c29-17-24(30)23(16-15-19-9-3-1-4-10-19)27-25(31)21-13-7-8-14-22(21)28-26(32)33-18-20-11-5-2-6-12-20/h1-6,9-12,21-23,29H,7-8,13-18H2,(H,27,31)(H,28,32)/t21-,22+,23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-2				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50199113 (CHEMBL3955013) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)Nc2ccccc2N)c(F)c1 Show InChI InChI=1S/C26H19F4N5O2S/c1-25(2)23(37)34(15-8-7-14(13-31)18(11-15)26(28,29)30)24(38)35(25)16-9-10-17(19(27)12-16)22(36)33-21-6-4-3-5-20(21)32/h3-12H,32H2,1-2H3,(H,33,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50448261 (CHEMBL3120834) Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C26H32N2O5/c29-17-24(30)23(16-15-19-9-3-1-4-10-19)27-25(31)21-13-7-8-14-22(21)28-26(32)33-18-20-11-5-2-6-12-20/h1-6,9-12,21-23,29H,7-8,13-18H2,(H,27,31)(H,28,32)/t21-,22+,23+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-2				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50199113 (CHEMBL3955013) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)Nc2ccccc2N)c(F)c1 Show InChI InChI=1S/C26H19F4N5O2S/c1-25(2)23(37)34(15-8-7-14(13-31)18(11-15)26(28,29)30)24(38)35(25)16-9-10-17(19(27)12-16)22(36)33-21-6-4-3-5-20(21)32/h3-12H,32H2,1-2H3,(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 3 (Plasmodium falciparum)	BDBM50448253 (CHEMBL3120842) Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCSCC1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C25H30N2O5S/c28-17-22(29)21(12-11-19-7-3-1-4-8-19)26-23(30)25(13-15-33-16-14-25)27-24(31)32-18-20-9-5-2-6-10-20/h1-10,21,28H,11-18H2,(H,26,30)(H,27,31)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-3				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50199121 (CHEMBL3908221) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCc2ccc(s2)C(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C32H27F7N4O3S2/c1-30(2)28(46)42(19-9-8-18(17-40)23(15-19)31(34,35)36)29(47)43(30)20-10-12-22(24(33)16-20)27(45)41-14-6-4-3-5-7-21-11-13-25(48-21)26(44)32(37,38)39/h8-13,15-16H,3-7,14H2,1-2H3,(H,41,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50199115 (CHEMBL3921621) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCn2cccc(O)c2=S)c(F)c1 Show InChI InChI=1S/C31H29F4N5O3S2/c1-30(2)28(43)39(20-10-9-19(18-36)23(16-20)31(33,34)35)29(45)40(30)21-11-12-22(24(32)17-21)26(42)37-13-5-3-4-6-14-38-15-7-8-25(41)27(38)44/h7-12,15-17,41H,3-6,13-14H2,1-2H3,(H,37,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50199115 (CHEMBL3921621) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCn2cccc(O)c2=S)c(F)c1 Show InChI InChI=1S/C31H29F4N5O3S2/c1-30(2)28(43)39(20-10-9-19(18-36)23(16-20)31(33,34)35)29(45)40(30)21-11-12-22(24(32)17-21)26(42)37-13-5-3-4-6-14-38-15-7-8-25(41)27(38)44/h7-12,15-17,41H,3-6,13-14H2,1-2H3,(H,37,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair

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