Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'nguyen' and Initial = 'vh'   

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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21447 (4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BAK from His-tagged BCL-XL (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50288953 (11'N-(3-bromobenzyl)spiro[dihydro[1,3]dioxolane-2,...) Show SMILES Brc1cccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)c1 |TLB:13:18:11.10:20,8:22:11.10:20,THB:12:11:18.22:20,9:10:18.22:20| Show InChI InChI=1S/C20H22BrNO2/c21-10-3-1-2-9(6-10)8-22-19-15-11-7-12-14-13(11)16(19)18(14)20(17(12)15)23-4-5-24-20/h1-3,6,11-19,22H,4-5,7-8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand				Bioorg Med Chem Lett 6: 595-600 (1996) Article DOI: 10.1016/0960-894X(96)00067-4 BindingDB Entry DOI: 10.7270/Q2GM87TV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50033369 (AMANTADINE | CHEMBL660 | SYMADINE | SYMMETREL) Show SMILES NC12CC3CC(CC(C3)C1)C2 |THB:6:5:2:8.7.9,6:7:4.5.10:2,9:7:4:10.1.2,9:1:4:8.6.7,0:1:4:8.6.7| Show InChI InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand				Bioorg Med Chem Lett 6: 595-600 (1996) Article DOI: 10.1016/0960-894X(96)00067-4 BindingDB Entry DOI: 10.7270/Q2GM87TV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50288954 (11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5,THB:13:12:11.7:2.5| Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand				Bioorg Med Chem Lett 6: 595-600 (1996) Article DOI: 10.1016/0960-894X(96)00067-4 BindingDB Entry DOI: 10.7270/Q2GM87TV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50288949 (11'N-(4-iodomobenzyl)spiro[dihydro[1,3]dioxolane-2...) Show SMILES Ic1ccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)cc1 |TLB:12:17:10.9:19,7:21:10.9:19,THB:11:10:17.21:19,8:9:17.21:19| Show InChI InChI=1S/C20H22INO2/c21-10-3-1-9(2-4-10)8-22-19-15-11-7-12-14-13(11)16(19)18(14)20(17(12)15)23-5-6-24-20/h1-4,11-19,22H,5-8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand				Bioorg Med Chem Lett 6: 595-600 (1996) Article DOI: 10.1016/0960-894X(96)00067-4 BindingDB Entry DOI: 10.7270/Q2GM87TV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50288950 (11'N-(3-iodobenzyl)spiro[dihydro[1,3]dioxolane-2,8...) Show SMILES Ic1cccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)c1 |TLB:13:18:11.10:20,8:22:11.10:20,THB:12:11:18.22:20,9:10:18.22:20| Show InChI InChI=1S/C20H22INO2/c21-10-3-1-2-9(6-10)8-22-19-15-11-7-12-14-13(11)16(19)18(14)20(17(12)15)23-4-5-24-20/h1-3,6,11-19,22H,4-5,7-8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand				Bioorg Med Chem Lett 6: 595-600 (1996) Article DOI: 10.1016/0960-894X(96)00067-4 BindingDB Entry DOI: 10.7270/Q2GM87TV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50288955 (11'N-benzylspiro[dihydro[1,3]dioxolane-2,8'-pentac...) Show SMILES C(NC1C2C3C4C2C2(OCCO2)C2C4CC3C12)c1ccccc1 |TLB:7:12:5.4:14,2:16:5.4:14,THB:6:5:12.16:14,3:4:12.16:14| Show InChI InChI=1S/C20H23NO2/c1-2-4-10(5-3-1)9-21-19-15-11-8-12-14-13(11)16(19)18(14)20(17(12)15)22-6-7-23-20/h1-5,11-19,21H,6-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand				Bioorg Med Chem Lett 6: 595-600 (1996) Article DOI: 10.1016/0960-894X(96)00067-4 BindingDB Entry DOI: 10.7270/Q2GM87TV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50288952 (11-(3-bromobenzyl)-11-azahexacyclo[5.4.1.02,6.03,1...) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(Br)c1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5| Show InChI InChI=1S/C18H18BrNO/c19-8-3-1-2-7(4-8)6-20-17-13-9-5-10-12-11(9)14(17)16(12)18(20,21)15(10)13/h1-4,9-17,21H,5-6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand				Bioorg Med Chem Lett 6: 595-600 (1996) Article DOI: 10.1016/0960-894X(96)00067-4 BindingDB Entry DOI: 10.7270/Q2GM87TV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50022583 (CHEMBL3298854) Show SMILES [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCc1ccc(O)c(O)c1)[C@@]2([H])[C@]34[H] |r,c:5,13| Show InChI InChI=1S/C23H26O4/c24-19-9-4-12(10-20(19)25)2-1-3-14-15-7-8-16-17(23(26)27)6-5-13-11-18(14)22(15)21(13)16/h4-10,13-18,21-22,24-25H,1-3,11H2,(H,26,27)/t13-,14-,15-,16+,17-,18+,21-,22-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BID from His-tagged MCL-1 (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50295298 (CHEMBL552717 | icterogenin regioisomer) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@@H]1-[#6]C([#6])([#6])[#6]-[#6@@H]2-[#6]3=[#6]-[#6]-[#6@@H]4[C@@]5([#6])[#6]-[#6]-[#6](=O)[C@]([#6])([#6]-[#8])[#6@@H]5-[#6]-[#6][C@@]4([#6])[C@]3([#6])[#6]-[#6][C@@]12[#6](-[#8])=O |r,t:14| Show InChI InChI=1S/C35H52O6/c1-21(2)17-28(38)41-27-19-30(3,4)18-23-22-9-10-25-31(5)13-12-26(37)32(6,20-36)24(31)11-14-34(25,8)33(22,7)15-16-35(23,27)29(39)40/h9,17,23-25,27,36H,10-16,18-20H2,1-8H3,(H,39,40)/t23-,24-,25-,27-,31+,32-,33-,34-,35+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay				J Nat Prod 72: 1314-20 (2009) Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50022622 (CHEMBL3299033) Show SMILES [H][C@]12C[C@@]3([H])[C@@H](O)C=C(C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CC\C=C\Cc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:14,t:7| Show InChI InChI=1S/C25H28O4/c26-15-8-6-14(7-9-15)4-2-1-3-5-16-17-10-11-18-20(25(28)29)13-22(27)21-12-19(16)23(17)24(18)21/h1-2,6-11,13,16-19,21-24,26-27H,3-5,12H2,(H,28,29)/b2-1+/t16-,17-,18+,19+,21+,22+,23-,24+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BID from His-tagged MCL-1 (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50295299 (1-O-[alpha-L-(Rhamnopyranosyl]-23-acetoxy-3beta-ac...) Show SMILES C[C@@H]1O[C@@H](O[C@H]2C[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@H]3CC[C@]4(C)[C@H](CC=C5[C@H]6C[C@@](C)(CC[C@]6(C)CC[C@@]45C)C(O)=O)[C@@]23C)[C@H](O)[C@H](O)[C@H]1O |r,t:26| Show InChI InChI=1S/C40H62O11/c1-21-30(43)31(44)32(45)33(49-21)51-29-18-28(50-23(3)42)37(6,20-48-22(2)41)26-12-13-39(8)27(40(26,29)9)11-10-24-25-19-36(5,34(46)47)15-14-35(25,4)16-17-38(24,39)7/h10,21,25-33,43-45H,11-20H2,1-9H3,(H,46,47)/t21-,25+,26-,27-,28-,29-,30-,31+,32+,33-,35+,36+,37-,38+,39+,40-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay				J Nat Prod 72: 1314-20 (2009) Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50295300 (CHEMBL554122 | icterogenin) Show SMILES C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O |r,t:14| Show InChI InChI=1S/C35H52O6/c1-9-21(2)28(38)41-27-19-30(3,4)18-23-22-10-11-25-31(5)14-13-26(37)32(6,20-36)24(31)12-15-34(25,8)33(22,7)16-17-35(23,27)29(39)40/h9-10,23-25,27,36H,11-20H2,1-8H3,(H,39,40)/b21-9-/t23-,24-,25-,27-,31+,32-,33-,34-,35+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay				J Nat Prod 72: 1314-20 (2009) Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50022568 (CHEMBL3298853) Show SMILES [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCCCCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13| Show InChI InChI=1S/C27H34O3/c28-19-11-8-17(9-12-19)6-4-2-1-3-5-7-20-21-14-15-22-23(27(29)30)13-10-18-16-24(20)26(21)25(18)22/h8-15,18,20-26,28H,1-7,16H2,(H,29,30)/t18-,20-,21-,22+,23-,24+,25-,26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BAK from His-tagged BCL-XL (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50022568 (CHEMBL3298853) Show SMILES [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCCCCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13| Show InChI InChI=1S/C27H34O3/c28-19-11-8-17(9-12-19)6-4-2-1-3-5-7-20-21-14-15-22-23(27(29)30)13-10-18-16-24(20)26(21)25(18)22/h8-15,18,20-26,28H,1-7,16H2,(H,29,30)/t18-,20-,21-,22+,23-,24+,25-,26-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BID from His-tagged MCL-1 (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50022567 (CHEMBL3298852) Show SMILES [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13| Show InChI InChI=1S/C25H30O3/c26-17-9-6-15(7-10-17)4-2-1-3-5-18-19-12-13-20-21(25(27)28)11-8-16-14-22(18)24(19)23(16)20/h6-13,16,18-24,26H,1-5,14H2,(H,27,28)/t16-,18-,19-,20+,21-,22+,23-,24-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BID from His-tagged MCL-1 (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50295301 (23-O-[alpha-L-(2',4'-Diacetylrhamnopyranosyl]imber...) Show SMILES C[C@@H]1O[C@@H](OC[C@]2(C)[C@@H](O)C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)[C@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O |r,t:24| Show InChI InChI=1S/C40H62O11/c1-21-31(50-22(2)41)30(45)32(51-23(3)42)33(49-21)48-20-37(6)26-12-13-39(8)27(40(26,9)29(44)18-28(37)43)11-10-24-25-19-36(5,34(46)47)15-14-35(25,4)16-17-38(24,39)7/h10,21,25-33,43-45H,11-20H2,1-9H3,(H,46,47)/t21-,25+,26-,27-,28-,29-,30+,31-,32+,33+,35+,36+,37-,38+,39+,40-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay				J Nat Prod 72: 1314-20 (2009) Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50295302 (23-acetoxy-3beta-acetylimberbic acid | CHEMBL53990...) Show SMILES CC(=O)OC[C@]1(C)[C@H](C[C@H](O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(C)=O |r,t:22| Show InChI InChI=1S/C34H52O7/c1-20(35)40-19-31(5)24-11-12-33(7)25(34(24,8)26(37)17-27(31)41-21(2)36)10-9-22-23-18-30(4,28(38)39)14-13-29(23,3)15-16-32(22,33)6/h9,23-27,37H,10-19H2,1-8H3,(H,38,39)/t23-,24+,25+,26+,27+,29-,30-,31+,32-,33-,34+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay				J Nat Prod 72: 1314-20 (2009) Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50022567 (CHEMBL3298852) Show SMILES [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13| Show InChI InChI=1S/C25H30O3/c26-17-9-6-15(7-10-17)4-2-1-3-5-18-19-12-13-20-21(25(27)28)11-8-16-14-22(18)24(19)23(16)20/h6-13,16,18-24,26H,1-5,14H2,(H,27,28)/t16-,18-,19-,20+,21-,22+,23-,24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BAK from His-tagged BCL-XL (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50022622 (CHEMBL3299033) Show SMILES [H][C@]12C[C@@]3([H])[C@@H](O)C=C(C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CC\C=C\Cc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:14,t:7| Show InChI InChI=1S/C25H28O4/c26-15-8-6-14(7-9-15)4-2-1-3-5-16-17-10-11-18-20(25(28)29)13-22(27)21-12-19(16)23(17)24(18)21/h1-2,6-11,13,16-19,21-24,26-27H,3-5,12H2,(H,28,29)/b2-1+/t16-,17-,18+,19+,21+,22+,23-,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BAK from His-tagged BCL-XL (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM21447 (4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BID from His-tagged MCL-1 (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50295307 (23-O-[alpha-L-(4'-acetylrhamnopyranosyl]imberbic a...) Show SMILES C[C@@H]1O[C@@H](OC[C@]2(C)[C@@H](O)C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)[C@H](O)[C@H](O)[C@H]1O |r,t:24| Show InChI InChI=1S/C36H58O9/c1-19-26(39)27(40)28(41)29(45-19)44-18-33(4)22-10-11-35(6)23(36(22,7)25(38)16-24(33)37)9-8-20-21-17-32(3,30(42)43)13-12-31(21,2)14-15-34(20,35)5/h8,19,21-29,37-41H,9-18H2,1-7H3,(H,42,43)/t19-,21+,22-,23-,24-,25-,26-,27+,28+,29+,31+,32+,33-,34+,35+,36-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay				J Nat Prod 72: 1314-20 (2009) Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50295308 (1-O-[alpha-L-(Rhamnopyranosyl]-23-acetoxy-3beta-ac...) Show SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(COC(C)=O)[C@H](C[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@]43C)OC(C)=O)[C@H]2C1 |r,c:14| Show InChI InChI=1S/C41H64O11/c1-22-31(44)32(45)33(46)34(50-22)52-30-19-29(51-24(3)43)38(6,21-49-23(2)42)27-13-14-40(8)28(41(27,30)9)12-11-25-26-20-37(5,35(47)48-10)16-15-36(26,4)17-18-39(25,40)7/h11,22,26-34,44-46H,12-21H2,1-10H3/t22-,26+,27-,28-,29-,30-,31-,32+,33+,34-,36+,37+,38-,39+,40+,41-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay				J Nat Prod 72: 1314-20 (2009) Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50295309 (23-O-[alpha-L-(4'-Acetylrhamnopyranosyl]-3beta-ace...) Show SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(CO[C@@H]5O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]5O)[C@H](C[C@H](O)[C@]43C)OC(C)=O)[C@H]2C1 |r,c:14| Show InChI InChI=1S/C41H64O11/c1-22-33(52-24(3)43)31(45)32(46)34(50-22)49-21-38(6)27-13-14-40(8)28(41(27,9)29(44)19-30(38)51-23(2)42)12-11-25-26-20-37(5,35(47)48-10)16-15-36(26,4)17-18-39(25,40)7/h11,22,26-34,44-46H,12-21H2,1-10H3/t22-,26+,27-,28-,29-,30-,31-,32+,33-,34+,36+,37+,38-,39+,40+,41-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay				J Nat Prod 72: 1314-20 (2009) Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50295310 (CHEMBL540988 | lantadene A) Show SMILES C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O |r,t:14| Show InChI InChI=1S/C35H52O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-25,27H,12-20H2,1-9H3,(H,38,39)/b21-10-/t23-,24+,25-,27-,32+,33-,34-,35+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay				J Nat Prod 72: 1314-20 (2009) Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50022583 (CHEMBL3298854) Show SMILES [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCc1ccc(O)c(O)c1)[C@@]2([H])[C@]34[H] |r,c:5,13| Show InChI InChI=1S/C23H26O4/c24-19-9-4-12(10-20(19)25)2-1-3-14-15-7-8-16-17(23(26)27)6-5-13-11-18(14)22(15)21(13)16/h4-10,13-18,21-22,24-25H,1-3,11H2,(H,26,27)/t13-,14-,15-,16+,17-,18+,21-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BAK from His-tagged BCL-XL (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50022566 (CHEMBL3298851) Show SMILES [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13| Show InChI InChI=1S/C23H26O3/c24-15-7-4-13(5-8-15)2-1-3-16-17-10-11-18-19(23(25)26)9-6-14-12-20(16)22(17)21(14)18/h4-11,14,16-22,24H,1-3,12H2,(H,25,26)/t14-,16-,17-,18+,19-,20+,21-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BAK from His-tagged BCL-XL (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50295304 (23-O-[alpha-L-(3',4'-Diacetylrhamnopyranosyl]-3bet...) Show SMILES C[C@@H]1O[C@@H](OC[C@]2(C)[C@H](C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)OC(C)=O)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r,t:23| Show InChI InChI=1S/C42H64O12/c1-22-33(53-24(3)44)34(54-25(4)45)32(47)35(51-22)50-21-39(7)28-13-14-41(9)29(42(28,10)30(46)19-31(39)52-23(2)43)12-11-26-27-20-38(6,36(48)49)16-15-37(27,5)17-18-40(26,41)8/h11,22,27-35,46-47H,12-21H2,1-10H3,(H,48,49)/t22-,27+,28-,29-,30-,31-,32+,33-,34-,35+,37+,38+,39-,40+,41+,42-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay				J Nat Prod 72: 1314-20 (2009) Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50295303 (23-Acetoxyimberbic acid 29-methyl ester | CHEMBL55...) Show SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@@H](O)C[C@H](O)[C@@](C)(COC(C)=O)[C@@H]5CC[C@@]34C)[C@H]2C1 |r,c:14| Show InChI InChI=1S/C33H52O6/c1-20(34)39-19-30(4)23-11-12-32(6)24(33(23,7)26(36)17-25(30)35)10-9-21-22-18-29(3,27(37)38-8)14-13-28(22,2)15-16-31(21,32)5/h9,22-26,35-36H,10-19H2,1-8H3/t22-,23+,24+,25+,26+,28-,29-,30+,31-,32-,33+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay				J Nat Prod 72: 1314-20 (2009) Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50022655 (CHEMBL3299034) Show SMILES [H][C@@]12C[C@]3([H])[C@@H](\C=C\C(O)=O)[C@@]4([H])C=C[C@]3([H])[C@]1([H])[C@@]4([H])[C@H]2CCCc1ccc(O)cc1 |r,c:13,TLB:1:17:3.5:13.14,21:19:3.5:13.14,6:5:17.19:13.14,THB:2:3:17.19:13.14,14:15:1.2:19.5.11| Show InChI InChI=1S/C23H26O3/c24-14-6-4-13(5-7-14)2-1-3-16-20-12-19-15(10-11-21(25)26)17-8-9-18(19)23(20)22(16)17/h4-11,15-20,22-24H,1-3,12H2,(H,25,26)/b11-10+/t15-,16-,17+,18-,19+,20-,22-,23-/m0/s1	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BAK from His-tagged BCL-XL (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50295306 (1-O-[alpha-L-(Rhamnopyranosyl]-23-acetoxyimberbic ...) Show SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(COC(C)=O)[C@@H](O)C[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@]43C)[C@H]2C1 |r,c:14| Show InChI InChI=1S/C39H62O10/c1-21-29(42)30(43)31(44)32(48-21)49-28-18-27(41)36(5,20-47-22(2)40)25-12-13-38(7)26(39(25,28)8)11-10-23-24-19-35(4,33(45)46-9)15-14-34(24,3)16-17-37(23,38)6/h10,21,24-32,41-44H,11-20H2,1-9H3/t21-,24+,25-,26-,27-,28-,29-,30+,31+,32-,34+,35+,36-,37+,38+,39-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay				J Nat Prod 72: 1314-20 (2009) Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50295305 (23-O-[alpha-L-(4'-Acetylrhamnopyranosyl]-3beta-ace...) Show SMILES C[C@@H]1O[C@@H](OC[C@]2(C)[C@H](C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)OC(C)=O)[C@H](O)[C@H](O)[C@H]1OC(C)=O |r,t:23| Show InChI InChI=1S/C40H62O11/c1-21-32(51-23(3)42)30(44)31(45)33(49-21)48-20-37(6)26-12-13-39(8)27(40(26,9)28(43)18-29(37)50-22(2)41)11-10-24-25-19-36(5,34(46)47)15-14-35(25,4)16-17-38(24,39)7/h10,21,25-33,43-45H,11-20H2,1-9H3,(H,46,47)/t21-,25+,26-,27-,28-,29-,30-,31+,32-,33+,35+,36+,37-,38+,39+,40-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay				J Nat Prod 72: 1314-20 (2009) Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50295311 (CHEMBL555367 | lantadene B) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@@H]1-[#6]C([#6])([#6])[#6]-[#6@@H]2-[#6]3=[#6]-[#6]-[#6@@H]4[C@@]5([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@@H]5-[#6]-[#6][C@@]4([#6])[C@]3([#6])[#6]-[#6][C@@]12[#6](-[#8])=O |r,t:14| Show InChI InChI=1S/C35H52O5/c1-21(2)18-28(37)40-27-20-30(3,4)19-23-22-10-11-25-32(7)14-13-26(36)31(5,6)24(32)12-15-34(25,9)33(22,8)16-17-35(23,27)29(38)39/h10,18,23-25,27H,11-17,19-20H2,1-9H3,(H,38,39)/t23-,24+,25-,27-,32+,33-,34-,35+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay				J Nat Prod 72: 1314-20 (2009) Checked by Author Article DOI: 10.1021/np900192r BindingDB Entry DOI: 10.7270/Q2KH0NCV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus C2888 AChE using acetylthiocholine iodide as substrate by Ellman's spectroscopic method				J Nat Prod 75: 2012-2015 (2012) Article DOI: 10.1021/np300660y BindingDB Entry DOI: 10.7270/Q2959JNP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometric method				J Nat Prod 74: 2081-8 (2011) Article DOI: 10.1021/np200308j BindingDB Entry DOI: 10.7270/Q2XW4K5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric method				J Nat Prod 74: 2081-8 (2011) Article DOI: 10.1021/np200308j BindingDB Entry DOI: 10.7270/Q2XW4K5R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50355395 (CHEMBL1834806) Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCCCc1cc(OC)c2oc(cc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C37H48O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36(38)40-23-18-19-29-24-31-27-33(43-37(31)35(25-29)39-2)30-21-22-32-34(26-30)42-28-41-32/h7-8,10-11,21-22,24-27H,3-6,9,12-20,23,28H2,1-2H3/b8-7-,11-10-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometric method				J Nat Prod 74: 2081-8 (2011) Article DOI: 10.1021/np200308j BindingDB Entry DOI: 10.7270/Q2XW4K5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50355396 (CHEMBL1834808) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCCCc1cc(OC)c2oc(cc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C37H50O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36(38)40-23-18-19-29-24-31-27-33(43-37(31)35(25-29)39-2)30-21-22-32-34(26-30)42-28-41-32/h10-11,21-22,24-27H,3-9,12-20,23,28H2,1-2H3/b11-10-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometric method				J Nat Prod 74: 2081-8 (2011) Article DOI: 10.1021/np200308j BindingDB Entry DOI: 10.7270/Q2XW4K5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50355395 (CHEMBL1834806) Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCCCc1cc(OC)c2oc(cc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C37H48O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36(38)40-23-18-19-29-24-31-27-33(43-37(31)35(25-29)39-2)30-21-22-32-34(26-30)42-28-41-32/h7-8,10-11,21-22,24-27H,3-6,9,12-20,23,28H2,1-2H3/b8-7-,11-10-	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric method				J Nat Prod 74: 2081-8 (2011) Article DOI: 10.1021/np200308j BindingDB Entry DOI: 10.7270/Q2XW4K5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50355396 (CHEMBL1834808) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCCCc1cc(OC)c2oc(cc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C37H50O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36(38)40-23-18-19-29-24-31-27-33(43-37(31)35(25-29)39-2)30-21-22-32-34(26-30)42-28-41-32/h10-11,21-22,24-27H,3-9,12-20,23,28H2,1-2H3/b11-10-	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric method				J Nat Prod 74: 2081-8 (2011) Article DOI: 10.1021/np200308j BindingDB Entry DOI: 10.7270/Q2XW4K5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50355397 (CHEMBL1834807) Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCCCc1ccc2oc(cc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C36H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-36(37)38-24-17-18-29-20-22-32-31(25-29)27-34(41-32)30-21-23-33-35(26-30)40-28-39-33/h6-7,9-10,20-23,25-27H,2-5,8,11-19,24,28H2,1H3/b7-6-,10-9-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometric method				J Nat Prod 74: 2081-8 (2011) Article DOI: 10.1021/np200308j BindingDB Entry DOI: 10.7270/Q2XW4K5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50355398 (CHEMBL1834809) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCCCc1ccc2oc(cc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C36H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-36(37)38-24-17-18-29-20-22-32-31(25-29)27-34(41-32)30-21-23-33-35(26-30)40-28-39-33/h9-10,20-23,25-27H,2-8,11-19,24,28H2,1H3/b10-9-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometric method				J Nat Prod 74: 2081-8 (2011) Article DOI: 10.1021/np200308j BindingDB Entry DOI: 10.7270/Q2XW4K5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50355397 (CHEMBL1834807) Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCCCc1ccc2oc(cc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C36H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-36(37)38-24-17-18-29-20-22-32-31(25-29)27-34(41-32)30-21-23-33-35(26-30)40-28-39-33/h6-7,9-10,20-23,25-27H,2-5,8,11-19,24,28H2,1H3/b7-6-,10-9-	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	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric method				J Nat Prod 74: 2081-8 (2011) Article DOI: 10.1021/np200308j BindingDB Entry DOI: 10.7270/Q2XW4K5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50355398 (CHEMBL1834809) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCCCc1ccc2oc(cc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C36H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-36(37)38-24-17-18-29-20-22-32-31(25-29)27-34(41-32)30-21-23-33-35(26-30)40-28-39-33/h9-10,20-23,25-27H,2-8,11-19,24,28H2,1H3/b10-9-	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	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric method				J Nat Prod 74: 2081-8 (2011) Article DOI: 10.1021/np200308j BindingDB Entry DOI: 10.7270/Q2XW4K5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50355399 (CHEMBL1834877) Show SMILES COc1cc(CCCOC(=O)Nc2ccccc2)cc2cc(oc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C26H23NO6/c1-29-24-13-17(6-5-11-30-26(28)27-20-7-3-2-4-8-20)12-19-15-22(33-25(19)24)18-9-10-21-23(14-18)32-16-31-21/h2-4,7-10,12-15H,5-6,11,16H2,1H3,(H,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometric method				J Nat Prod 74: 2081-8 (2011) Article DOI: 10.1021/np200308j BindingDB Entry DOI: 10.7270/Q2XW4K5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50355399 (CHEMBL1834877) Show SMILES COc1cc(CCCOC(=O)Nc2ccccc2)cc2cc(oc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C26H23NO6/c1-29-24-13-17(6-5-11-30-26(28)27-20-7-3-2-4-8-20)12-19-15-22(33-25(19)24)18-9-10-21-23(14-18)32-16-31-21/h2-4,7-10,12-15H,5-6,11,16H2,1H3,(H,27,28)	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	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric method				J Nat Prod 74: 2081-8 (2011) Article DOI: 10.1021/np200308j BindingDB Entry DOI: 10.7270/Q2XW4K5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50355400 (CHEMBL1834810) Show SMILES CC[C@H](C)C(=O)OCCCc1cc(OC)c2oc(cc2c1)-c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C24H26O6/c1-4-15(2)24(25)27-9-5-6-16-10-18-13-20(30-23(18)22(11-16)26-3)17-7-8-19-21(12-17)29-14-28-19/h7-8,10-13,15H,4-6,9,14H2,1-3H3/t15-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometric method				J Nat Prod 74: 2081-8 (2011) Article DOI: 10.1021/np200308j BindingDB Entry DOI: 10.7270/Q2XW4K5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50355401 (CHEMBL1834811) Show SMILES CC[C@H](C)C(=O)OCCCc1ccc2oc(cc2c1)-c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C23H24O5/c1-3-15(2)23(24)25-10-4-5-16-6-8-19-18(11-16)13-21(28-19)17-7-9-20-22(12-17)27-14-26-20/h6-9,11-13,15H,3-5,10,14H2,1-2H3/t15-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometric method				J Nat Prod 74: 2081-8 (2011) Article DOI: 10.1021/np200308j BindingDB Entry DOI: 10.7270/Q2XW4K5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50355400 (CHEMBL1834810) Show SMILES CC[C@H](C)C(=O)OCCCc1cc(OC)c2oc(cc2c1)-c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C24H26O6/c1-4-15(2)24(25)27-9-5-6-16-10-18-13-20(30-23(18)22(11-16)26-3)17-7-8-19-21(12-17)29-14-28-19/h7-8,10-13,15H,4-6,9,14H2,1-3H3/t15-/m0/s1	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	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric method				J Nat Prod 74: 2081-8 (2011) Article DOI: 10.1021/np200308j BindingDB Entry DOI: 10.7270/Q2XW4K5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50355401 (CHEMBL1834811) Show SMILES CC[C@H](C)C(=O)OCCCc1ccc2oc(cc2c1)-c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C23H24O5/c1-3-15(2)23(24)25-10-4-5-16-6-8-19-18(11-16)13-21(28-19)17-7-9-20-22(12-17)27-14-26-20/h6-9,11-13,15H,3-5,10,14H2,1-2H3/t15-/m0/s1	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	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric method				J Nat Prod 74: 2081-8 (2011) Article DOI: 10.1021/np200308j BindingDB Entry DOI: 10.7270/Q2XW4K5R
					More data for this Ligand-Target Pair

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