Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'yiannaki' and Initial = 'e'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437812 (CHEMBL2407723) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2NC[C@@H](S2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437809 (CHEMBL2407717) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](CS2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437821 (CHEMBL2407736) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(c(O)[nH]2)-c2ccccc2)cc1 Show InChI InChI=1S/C23H21N5O2/c24-18-8-4-5-9-19(18)26-21(29)17-12-10-15(11-13-17)14-25-23-27-20(22(30)28-23)16-6-2-1-3-7-16/h1-13,30H,14,24H2,(H,26,29)(H2,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437816 (CHEMBL2407719) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](CS2)c2ccc(O)cc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4O2S/c24-19-3-1-2-4-20(19)26-22(29)17-7-5-15(6-8-17)13-25-23-27-21(14-30-23)16-9-11-18(28)12-10-16/h1-12,21,28H,13-14,24H2,(H,25,27)(H,26,29)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437813 (CHEMBL2407722) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2NC[C@H](S2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437822 (CHEMBL2407735) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(O)c(Cc3ccccc3)[nH]2)cc1 Show InChI InChI=1S/C24H23N5O2/c25-19-8-4-5-9-20(19)27-22(30)18-12-10-17(11-13-18)15-26-24-28-21(23(31)29-24)14-16-6-2-1-3-7-16/h1-13,31H,14-15,25H2,(H,27,30)(H2,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437827 (CHEMBL2407730) Show SMILES ONC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C17H15N5O2/c23-16(22-24)13-5-3-12(4-6-13)10-20-17-19-9-7-15(21-17)14-2-1-8-18-11-14/h1-9,11,24H,10H2,(H,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437814 (CHEMBL2407721) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](Cc3ccccc3)CS2)cc1 |r,w:15.15| Show InChI InChI=1S/C24H24N4OS/c25-21-8-4-5-9-22(21)28-23(29)19-12-10-18(11-13-19)15-26-24-27-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,27)(H,28,29)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437826 (CHEMBL2407731) Show SMILES CC(C)(C)OC(=O)n1c(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(O)c1Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C31H32N6O4/c1-31(2,3)41-30(40)37-26(16-21-18-33-24-10-6-4-8-22(21)24)28(39)36-29(37)34-17-19-12-14-20(15-13-19)27(38)35-25-11-7-5-9-23(25)32/h4-15,18,33,39H,16-17,32H2,1-3H3,(H,34,36)(H,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437815 (CHEMBL2407720) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@@H](Cc3ccccc3)CS2)cc1 |r,w:15.15| Show InChI InChI=1S/C24H24N4OS/c25-21-8-4-5-9-22(21)28-23(29)19-12-10-18(11-13-19)15-26-24-27-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,27)(H,28,29)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437818 (CHEMBL2407716) Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CS2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H21N3OS2/c24-19-8-4-5-9-20(19)25-22(27)18-12-10-16(11-13-18)14-28-23-26-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437825 (CHEMBL2407732) Show SMILES CC(=O)n1c(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(O)c1Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H26N6O3/c1-17(35)34-25(14-20-16-30-23-8-4-2-6-21(20)23)27(37)33-28(34)31-15-18-10-12-19(13-11-18)26(36)32-24-9-5-3-7-22(24)29/h2-13,16,30,37H,14-15,29H2,1H3,(H,31,33)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437817 (CHEMBL2407718) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@@H](CS2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50437809 (CHEMBL2407717) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](CS2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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 College London Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437823 (CHEMBL2407734) Show SMILES CC(=O)n1c(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(O)c1Cc1ccccc1 Show InChI InChI=1S/C26H25N5O3/c1-17(32)31-23(15-18-7-3-2-4-8-18)25(34)30-26(31)28-16-19-11-13-20(14-12-19)24(33)29-22-10-6-5-9-21(22)27/h2-14,34H,15-16,27H2,1H3,(H,28,30)(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437824 (CHEMBL2407733) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(O)c(Cc3c[nH]c4ccccc34)[nH]2)cc1 Show InChI InChI=1S/C26H24N6O2/c27-20-6-2-4-8-22(20)30-24(33)17-11-9-16(10-12-17)14-29-26-31-23(25(34)32-26)13-18-15-28-21-7-3-1-5-19(18)21/h1-12,15,28,34H,13-14,27H2,(H,30,33)(H2,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437833 (CHEMBL2407742) Show SMILES COc1ccc(NC(=O)c2ccc(CNc3nccc(n3)-c3cccnc3)cc2)c(N)c1 Show InChI InChI=1S/C24H22N6O2/c1-32-19-8-9-22(20(25)13-19)29-23(31)17-6-4-16(5-7-17)14-28-24-27-12-10-21(30-24)18-3-2-11-26-15-18/h2-13,15H,14,25H2,1H3,(H,29,31)(H,27,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437811 (CHEMBL2407724) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@@H]([C@H](S2)c2ccccc2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C29H26N4OS/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	287	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437810 (CHEMBL2407725) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H]([C@@H](S2)c2ccccc2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C29H26N4OS/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	388	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437819 (CHEMBL2407738) Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H](Cc3ccccc3)CS2)cc1 |r,t:17| Show InChI InChI=1S/C24H23N3OS2/c25-21-8-4-5-9-22(21)27-23(28)19-12-10-18(11-13-19)15-29-24-26-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,27,28)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	509	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437836 (CHEMBL2407739) Show SMILES Nc1cc2ccccc2cc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C27H22N6O/c28-23-14-20-4-1-2-5-21(20)15-25(23)32-26(34)19-9-7-18(8-10-19)16-31-27-30-13-11-24(33-27)22-6-3-12-29-17-22/h1-15,17H,16,28H2,(H,32,34)(H,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437832 (CHEMBL2407743) Show SMILES Nc1cc(O)ccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O2/c24-19-12-18(30)7-8-21(19)28-22(31)16-5-3-15(4-6-16)13-27-23-26-11-9-20(29-23)17-2-1-10-25-14-17/h1-12,14,30H,13,24H2,(H,28,31)(H,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	719	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437820 (CHEMBL2407737) Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H](Cc3c[nH]c4ccccc34)CS2)cc1 |r,t:17| Show InChI InChI=1S/C26H24N4OS2/c27-22-6-2-4-8-24(22)30-25(31)18-11-9-17(10-12-18)15-32-26-29-20(16-33-26)13-19-14-28-23-7-3-1-5-21(19)23/h1-12,14,20,28H,13,15-16,27H2,(H,30,31)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437834 (CHEMBL2407741) Show SMILES Nc1cc(Br)ccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H19BrN6O/c24-18-7-8-21(19(25)12-18)29-22(31)16-5-3-15(4-6-16)13-28-23-27-11-9-20(30-23)17-2-1-10-26-14-17/h1-12,14H,13,25H2,(H,29,31)(H,27,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50437809 (CHEMBL2407717) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](CS2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437829 (CHEMBL2407728) Show SMILES Nc1cc(ccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C31H26N6O3/c32-26-17-24(30(39)40-20-22-5-2-1-3-6-22)12-13-28(26)36-29(38)23-10-8-21(9-11-23)18-35-31-34-16-14-27(37-31)25-7-4-15-33-19-25/h1-17,19H,18,20,32H2,(H,36,38)(H,34,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437830 (CHEMBL2407727) Show SMILES Nc1cc(CO)ccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C24H22N6O2/c25-20-12-17(15-31)5-8-22(20)29-23(32)18-6-3-16(4-7-18)13-28-24-27-11-9-21(30-24)19-2-1-10-26-14-19/h1-12,14,31H,13,15,25H2,(H,29,32)(H,27,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437831 (CHEMBL2407726) Show SMILES CC(C)(C)[Si](C)(C)OCc1ccc(NC(=O)c2ccc(CNc3nccc(n3)-c3cccnc3)cc2)c(N)c1 Show InChI InChI=1S/C30H36N6O2Si/c1-30(2,3)39(4,5)38-20-22-10-13-27(25(31)17-22)35-28(37)23-11-8-21(9-12-23)18-34-29-33-16-14-26(36-29)24-7-6-15-32-19-24/h6-17,19H,18,20,31H2,1-5H3,(H,35,37)(H,33,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437835 (CHEMBL2407740) Show SMILES Nc1cc(ccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C29H24N6O/c30-25-17-23(21-5-2-1-3-6-21)12-13-27(25)34-28(36)22-10-8-20(9-11-22)18-33-29-32-16-14-26(35-29)24-7-4-15-31-19-24/h1-17,19H,18,30H2,(H,34,36)(H,32,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437828 (CHEMBL2407729) Show SMILES Nc1cc(ccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1)C(O)=O Show InChI InChI=1S/C24H20N6O3/c25-19-12-17(23(32)33)7-8-21(19)29-22(31)16-5-3-15(4-6-16)13-28-24-27-11-9-20(30-24)18-2-1-10-26-14-18/h1-12,14H,13,25H2,(H,29,31)(H,32,33)(H,27,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50437809 (CHEMBL2407717) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](CS2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair