Compile Data Set for Download or QSAR

Found 256 hits with Last Name = 'ramachandran' and Initial = 'b'   

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 1 (Mus musculus (Mouse))	BDBM97708 (US8476255, 96) Show SMILES CSc1ccc(\C=C(\C(=O)NCCCCCC(=O)NO)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C23H28N2O3S/c1-17-7-11-19(12-8-17)21(16-18-9-13-20(29-2)14-10-18)23(27)24-15-5-3-4-6-22(26)25-28/h7-14,16,28H,3-6,15H2,1-2H3,(H,24,27)(H,25,26)/b21-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97707 (US8476255, 95) Show SMILES CSc1ccc(\C=C(\C(=O)NCCCCCC(=O)NO)c2ccccc2Cl)cc1 Show InChI InChI=1S/C22H25ClN2O3S/c1-29-17-12-10-16(11-13-17)15-19(18-7-4-5-8-20(18)23)22(27)24-14-6-2-3-9-21(26)25-28/h4-5,7-8,10-13,15,28H,2-3,6,9,14H2,1H3,(H,24,27)(H,25,26)/b19-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97695 (US8476255, 55) Show SMILES CSc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)NO)c2cccnc2)cc1 Show InChI InChI=1S/C23H21N3O3S/c1-30-20-10-6-16(7-11-20)13-21(19-3-2-12-24-15-19)23(28)25-14-17-4-8-18(9-5-17)22(27)26-29/h2-13,15,29H,14H2,1H3,(H,25,28)(H,26,27)/b21-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97703 (US8476255, 89) Show SMILES ONC(=O)CCCCCNC(=O)C(=C\c1c(F)cc(F)cc1F)\c1ccc(F)cc1 Show InChI InChI=1S/C21H20F4N2O3/c22-14-7-5-13(6-8-14)16(12-17-18(24)10-15(23)11-19(17)25)21(29)26-9-3-1-2-4-20(28)27-30/h5-8,10-12,30H,1-4,9H2,(H,26,29)(H,27,28)/b16-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97698 (US8476255, 59) Show SMILES CSc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)NO)c2ccsc2)cc1 Show InChI InChI=1S/C22H20N2O3S2/c1-28-19-8-4-15(5-9-19)12-20(18-10-11-29-14-18)22(26)23-13-16-2-6-17(7-3-16)21(25)24-27/h2-12,14,27H,13H2,1H3,(H,23,26)(H,24,25)/b20-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97685 (US8476255, 28) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccccc2F)cc1OC Show InChI InChI=1S/C31H28FN3O4/c1-38-28-16-13-21(18-29(28)39-2)17-24(23-7-3-4-8-25(23)32)31(37)34-19-20-11-14-22(15-12-20)30(36)35-27-10-6-5-9-26(27)33/h3-18H,19,33H2,1-2H3,(H,34,37)(H,35,36)/b24-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97697 (US8476255, 58) Show SMILES CSc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)NO)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C25H24N2O3S/c1-17-3-9-20(10-4-17)23(15-18-7-13-22(31-2)14-8-18)25(29)26-16-19-5-11-21(12-6-19)24(28)27-30/h3-15,30H,16H2,1-2H3,(H,26,29)(H,27,28)/b23-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97694 (US8476255, 53) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)NO)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C24H21FN2O4/c1-31-21-12-4-16(5-13-21)14-22(18-8-10-20(25)11-9-18)24(29)26-15-17-2-6-19(7-3-17)23(28)27-30/h2-14,30H,15H2,1H3,(H,26,29)(H,27,28)/b22-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97706 (US8476255, 94) Show SMILES CSc1ccc(\C=C(\C(=O)NCCCCCC(=O)NO)c2ccccc2F)cc1 Show InChI InChI=1S/C22H25FN2O3S/c1-29-17-12-10-16(11-13-17)15-19(18-7-4-5-8-20(18)23)22(27)24-14-6-2-3-9-21(26)25-28/h4-5,7-8,10-13,15,28H,2-3,6,9,14H2,1H3,(H,24,27)(H,25,26)/b19-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97704 (US8476255, 90) Show SMILES CSc1ccc(\C=C(\C(=O)NCCCCCC(=O)NO)c2ccsc2)cc1 Show InChI InChI=1S/C20H24N2O3S2/c1-26-17-8-6-15(7-9-17)13-18(16-10-12-27-14-16)20(24)21-11-4-2-3-5-19(23)22-25/h6-10,12-14,25H,2-5,11H2,1H3,(H,21,24)(H,22,23)/b18-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97680 (US8476255, 19) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccc(F)cc2)cc1OC Show InChI InChI=1S/C31H28FN3O4/c1-38-28-16-9-21(18-29(28)39-2)17-25(22-12-14-24(32)15-13-22)31(37)34-19-20-7-10-23(11-8-20)30(36)35-27-6-4-3-5-26(27)33/h3-18H,19,33H2,1-2H3,(H,34,37)(H,35,36)/b25-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97700 (US8476255, 77) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(\C=C\C(=O)NO)cc2)c2ccc(F)cc2)cc1OC Show InChI InChI=1S/C27H25FN2O5/c1-34-24-13-7-20(16-25(24)35-2)15-23(21-9-11-22(28)12-10-21)27(32)29-17-19-5-3-18(4-6-19)8-14-26(31)30-33/h3-16,33H,17H2,1-2H3,(H,29,32)(H,30,31)/b14-8+,23-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97684 (US8476255, 27) Show SMILES COc1ccc(cc1)C(=C/c1ccc(OC)c(OC)c1)\C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C32H31N3O5/c1-38-25-15-13-23(14-16-25)26(18-22-10-17-29(39-2)30(19-22)40-3)32(37)34-20-21-8-11-24(12-9-21)31(36)35-28-7-5-4-6-27(28)33/h4-19H,20,33H2,1-3H3,(H,34,37)(H,35,36)/b26-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97688 (US8476255, 32) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2cccc(F)c2)cc1OC Show InChI InChI=1S/C31H28FN3O4/c1-38-28-15-12-21(17-29(28)39-2)16-25(23-6-5-7-24(32)18-23)31(37)34-19-20-10-13-22(14-11-20)30(36)35-27-9-4-3-8-26(27)33/h3-18H,19,33H2,1-2H3,(H,34,37)(H,35,36)/b25-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97687 (US8476255, 31) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccccc2)cc1OC Show InChI InChI=1S/C31H29N3O4/c1-37-28-17-14-22(19-29(28)38-2)18-25(23-8-4-3-5-9-23)31(36)33-20-21-12-15-24(16-13-21)30(35)34-27-11-7-6-10-26(27)32/h3-19H,20,32H2,1-2H3,(H,33,36)(H,34,35)/b25-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97686 (US8476255, 29) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccc(C)cc2)cc1OC Show InChI InChI=1S/C32H31N3O4/c1-21-8-13-24(14-9-21)26(18-23-12-17-29(38-2)30(19-23)39-3)32(37)34-20-22-10-15-25(16-11-22)31(36)35-28-7-5-4-6-27(28)33/h4-19H,20,33H2,1-3H3,(H,34,37)(H,35,36)/b26-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97701 (US8476255, 84) Show SMILES CSc1ccc(\C=C(\C(=O)NCCCCCCC(=O)NO)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H27FN2O3S/c1-30-20-13-7-17(8-14-20)16-21(18-9-11-19(24)12-10-18)23(28)25-15-5-3-2-4-6-22(27)26-29/h7-14,16,29H,2-6,15H2,1H3,(H,25,28)(H,26,27)/b21-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97699 (BOC-LYS(AC)-AMC | US8476255, 76) Show SMILES CSc1ccc(\C=C(\C(=O)NCc2ccc(\C=C\C(=O)NO)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H23FN2O3S/c1-33-23-13-6-19(7-14-23)16-24(21-9-11-22(27)12-10-21)26(31)28-17-20-4-2-18(3-5-20)8-15-25(30)29-32/h2-16,32H,17H2,1H3,(H,28,31)(H,29,30)/b15-8+,24-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97693 (US8476255, 52) Show SMILES CSc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)NO)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C24H21FN2O3S/c1-31-21-12-4-16(5-13-21)14-22(18-8-10-20(25)11-9-18)24(29)26-15-17-2-6-19(7-3-17)23(28)27-30/h2-14,30H,15H2,1H3,(H,26,29)(H,27,28)/b22-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97683 (US8476255, 24) Show SMILES CSc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccccc2F)cc1 Show InChI InChI=1S/C30H26FN3O2S/c1-37-23-16-12-20(13-17-23)18-25(24-6-2-3-7-26(24)31)30(36)33-19-21-10-14-22(15-11-21)29(35)34-28-9-5-4-8-27(28)32/h2-18H,19,32H2,1H3,(H,33,36)(H,34,35)/b25-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97696 (US8476255, 57) Show SMILES COc1ccc(cc1)C(=C/c1ccc(SC)cc1)\C(=O)NCc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C25H24N2O4S/c1-31-21-11-9-19(10-12-21)23(15-17-5-13-22(32-2)14-6-17)25(29)26-16-18-3-7-20(8-4-18)24(28)27-30/h3-15,30H,16H2,1-2H3,(H,26,29)(H,27,28)/b23-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97709 (US8476255, 101) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)C(=C\c1ccccc1)\c1ccccc1 Show InChI InChI=1S/C22H25N3O4/c26-20(25-29)14-8-3-9-15-23-22(28)24-21(27)19(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,16,29H,3,8-9,14-15H2,(H,25,26)(H2,23,24,27,28)/b19-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97681 (US8476255, 20) Show SMILES COc1cc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccc(F)cc2)ccc1F Show InChI InChI=1S/C30H25F2N3O3/c1-38-28-17-20(8-15-25(28)32)16-24(21-11-13-23(31)14-12-21)30(37)34-18-19-6-9-22(10-7-19)29(36)35-27-5-3-2-4-26(27)33/h2-17H,18,33H2,1H3,(H,34,37)(H,35,36)/b24-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97705 (US8476255, 92) Show SMILES COc1ccc(cc1)C(=C/c1ccc(SC)cc1)\C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C23H28N2O4S/c1-29-19-11-9-18(10-12-19)21(16-17-7-13-20(30-2)14-8-17)23(27)24-15-5-3-4-6-22(26)25-28/h7-14,16,28H,3-6,15H2,1-2H3,(H,24,27)(H,25,26)/b21-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97692 (US8476255, 49) Show SMILES COc1ccc(cc1)C(=C/c1ccc(F)cc1)\C(=O)NCc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C24H21FN2O4/c1-31-21-12-8-18(9-13-21)22(14-16-4-10-20(25)11-5-16)24(29)26-15-17-2-6-19(7-3-17)23(28)27-30/h2-14,30H,15H2,1H3,(H,26,29)(H,27,28)/b22-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97702 (US8476255, 85) Show SMILES ONC(=O)CCCCCCNC(=O)C(=C/c1ccccc1)\c1ccccc1 Show InChI InChI=1S/C22H26N2O3/c25-21(24-27)15-9-1-2-10-16-23-22(26)20(19-13-7-4-8-14-19)17-18-11-5-3-6-12-18/h3-8,11-14,17,27H,1-2,9-10,15-16H2,(H,23,26)(H,24,25)/b20-17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50103521 (Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...) Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit C-C chemokine receptor type 3 receptor				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50237619 (CHEBI:28545 | Valino | Valinomycin) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C |r| Show InChI InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50088504 (A-84538 | ABBOTT-84538 | CHEBI:45409 | Norvir | Ri...) Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97682 (US8476255, 22) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)C(=C\c2ccnc3ccccc23)\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C32H25FN4O2/c33-25-15-13-22(14-16-25)27(19-24-17-18-35-29-7-3-1-5-26(24)29)32(39)36-20-21-9-11-23(12-10-21)31(38)37-30-8-4-2-6-28(30)34/h1-19H,20,34H2,(H,36,39)(H,37,38)/b27-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM151585 (US11739089, Compound Ketoconazole | US8987315, Ket...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50001285 ((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...) Show SMILES CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97679 (US8476255, 15) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)C(=C\c2ccncc2)\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H23FN4O2/c29-23-11-9-21(10-12-23)24(17-19-13-15-31-16-14-19)28(35)32-18-20-5-7-22(8-6-20)27(34)33-26-4-2-1-3-25(26)30/h1-17H,18,30H2,(H,32,35)(H,33,34)/b24-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50378137 (Ketek | TELITHROMYCIN) Show SMILES CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(c3)-c3cccnc3)C(=O)O[C@]12C)OC |r| Show InChI InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97688 (US8476255, 32) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2cccc(F)c2)cc1OC Show InChI InChI=1S/C31H28FN3O4/c1-38-28-15-12-21(17-29(28)39-2)16-25(23-6-5-7-24(32)18-23)31(37)34-19-20-10-13-22(14-11-20)30(36)35-27-9-4-3-8-26(27)33/h3-18H,19,33H2,1-2H3,(H,34,37)(H,35,36)/b25-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97691 (US8476255, 37) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2cccs2)cc1OC Show InChI InChI=1S/C29H27N3O4S/c1-35-25-14-11-20(17-26(25)36-2)16-22(27-8-5-15-37-27)29(34)31-18-19-9-12-21(13-10-19)28(33)32-24-7-4-3-6-23(24)30/h3-17H,18,30H2,1-2H3,(H,31,34)(H,32,33)/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50088494 (BDBM50101974 | CHEMBL3542292 | CI-991 | CS-045 | G...) Show SMILES Cc1c(C)c2OC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)CCc2c(C)c1O Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50069447 (1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...) Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50012957 (1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...) Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile salt export pump (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human thymidine phosphorylase				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97689 (US8476255, 33) Show SMILES COC(=O)c1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C31H26ClN3O4/c1-39-31(38)23-15-9-20(10-16-23)17-26(24-5-4-6-25(32)18-24)30(37)34-19-21-11-13-22(14-12-21)29(36)35-28-8-3-2-7-27(28)33/h2-18H,19,33H2,1H3,(H,34,37)(H,35,36)/b26-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50101815 (CHEBI:7550 | Nicardipine) Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1 |c:4,9| Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97687 (US8476255, 31) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccccc2)cc1OC Show InChI InChI=1S/C31H29N3O4/c1-37-28-17-14-22(19-29(28)38-2)18-25(23-8-4-3-5-9-23)31(36)33-20-21-12-15-24(16-13-21)30(35)34-27-11-7-6-10-26(27)32/h3-19H,20,32H2,1-2H3,(H,33,36)(H,34,35)/b25-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50017712 ((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...) Show SMILES CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97680 (US8476255, 19) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccc(F)cc2)cc1OC Show InChI InChI=1S/C31H28FN3O4/c1-38-28-16-9-21(18-29(28)39-2)17-25(22-12-14-24(32)15-13-22)31(37)34-19-20-7-10-23(11-8-20)30(36)35-27-6-4-3-5-26(27)33/h3-18H,19,33H2,1-2H3,(H,34,37)(H,35,36)/b25-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97685 (US8476255, 28) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccccc2F)cc1OC Show InChI InChI=1S/C31H28FN3O4/c1-38-28-16-13-21(18-29(28)39-2)17-24(23-7-3-4-8-25(23)32)31(37)34-19-20-11-14-22(15-12-20)30(36)35-27-10-6-5-9-26(27)33/h3-18H,19,33H2,1-2H3,(H,34,37)(H,35,36)/b24-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair

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