Compile Data Set for Download or QSAR

Found 659 hits with Last Name = 'xiao' and Initial = 'g'   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234829 (CHEMBL4100760) Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCCCC4)c(O)c3)C(=O)c2cc1OC Show InChI InChI=1S/C23H25NO5/c1-27-20-12-17-19(13-21(20)28-2)29-22(23(17)26)11-15-6-7-16(18(25)10-15)14-24-8-4-3-5-9-24/h6-7,10-13,25H,3-5,8-9,14H2,1-2H3/b22-11-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Mixed-type inhibition of Electrophorus electricus AChE pretreated for 15 mins followed by varying levels of acetylthiocholine iodide substrate additi...				Eur J Med Chem 126: 762-775 (2017) Article DOI: 10.1016/j.ejmech.2016.12.009 BindingDB Entry DOI: 10.7270/Q2NG4SW1
					More data for this Ligand-Target Pair
Diphosphomevalonate decarboxylase (Homo sapiens (Human))	BDBM50287714 ((3R)-3-(fluoromethyl)-3-hydroxy-5-{[(phosphonatoox...) Show SMILES O[C@](CF)(CCOP([O-])(=O)OP([O-])([O-])=O)CC([O-])=O Show InChI InChI=1S/C6H13FO10P2/c7-4-6(10,3-5(8)9)1-2-16-19(14,15)17-18(11,12)13/h10H,1-4H2,(H,8,9)(H,14,15)(H2,11,12,13)/p-4/t6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase				Bioorg Med Chem Lett 6: 2091-2096 (1996) Article DOI: 10.1016/0960-894X(96)00374-5 BindingDB Entry DOI: 10.7270/Q2930TPB
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50067364 (CHEMBL3401816) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C31H21BrClN3O6S3/c32-23-9-3-19(4-10-23)17-27(29(37)34-45(41,42)26-15-13-25(14-16-26)36(39)40)35-30(38)28(44-31(35)43)18-20-1-5-21(6-2-20)22-7-11-24(33)12-8-22/h1-16,18,27H,17H2,(H,34,37)/b28-18-/t27-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Mcl-1 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50067458 (CHEMBL3401801) Show SMILES Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C31H22BrClN2O4S3/c32-24-14-8-20(9-15-24)18-27(29(36)34-42(38,39)26-4-2-1-3-5-26)35-30(37)28(41-31(35)40)19-21-6-10-22(11-7-21)23-12-16-25(33)17-13-23/h1-17,19,27H,18H2,(H,34,36)/b28-19-/t27-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Mcl-1 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50067363 (CHEMBL3401817) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 |r| Show InChI InChI=1S/C31H21BrN4O8S3/c32-23-9-3-19(4-10-23)17-27(29(37)33-47(43,44)26-15-13-25(14-16-26)36(41)42)34-30(38)28(46-31(34)45)18-20-1-5-21(6-2-20)22-7-11-24(12-8-22)35(39)40/h1-16,18,27H,17H2,(H,33,37)/b28-18-/t27-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Mcl-1 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067355 (CHEMBL3401825) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50067460 (CHEMBL3401800) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C31H22BrN3O6S3/c32-24-14-8-20(9-15-24)18-27(29(36)33-44(40,41)26-4-2-1-3-5-26)34-30(37)28(43-31(34)42)19-21-6-10-22(11-7-21)23-12-16-25(17-13-23)35(38)39/h1-17,19,27H,18H2,(H,33,36)/b28-19-/t27-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Mcl-1 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50067354 (CHEMBL3401826) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C32H26N2O4S3/c1-22-12-18-27(19-13-22)41(37,38)33-30(35)28(20-23-8-4-2-5-9-23)34-31(36)29(40-32(34)39)21-24-14-16-26(17-15-24)25-10-6-3-7-11-25/h2-19,21,28H,20H2,1H3,(H,33,35)/b29-21-/t28-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Mcl-1 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067363 (CHEMBL3401817) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 |r| Show InChI InChI=1S/C31H21BrN4O8S3/c32-23-9-3-19(4-10-23)17-27(29(37)33-47(43,44)26-15-13-25(14-16-26)36(41)42)34-30(38)28(46-31(34)45)18-20-1-5-21(6-2-20)22-7-11-24(12-8-22)35(39)40/h1-16,18,27H,17H2,(H,33,37)/b28-18-/t27-/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	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50067458 (CHEMBL3401801) Show SMILES Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C31H22BrClN2O4S3/c32-24-14-8-20(9-15-24)18-27(29(36)34-42(38,39)26-4-2-1-3-5-26)35-30(37)28(41-31(35)40)19-21-6-10-22(11-7-21)23-12-16-25(33)17-13-23/h1-17,19,27H,18H2,(H,34,36)/b28-19-/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-2 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067469 (CHEMBL3401796) Show SMILES CC[C@H](C)[C@H](N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O)C(=O)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H26N2O4S3/c1-3-19(2)25(26(31)29-37(33,34)23-12-8-5-9-13-23)30-27(32)24(36-28(30)35)18-20-14-16-22(17-15-20)21-10-6-4-7-11-21/h4-19,25H,3H2,1-2H3,(H,29,31)/b24-18-/t19-,25-/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	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067460 (CHEMBL3401800) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C31H22BrN3O6S3/c32-24-14-8-20(9-15-24)18-27(29(36)33-44(40,41)26-4-2-1-3-5-26)34-30(37)28(43-31(34)42)19-21-6-10-22(11-7-21)23-12-16-25(17-13-23)35(38)39/h1-17,19,27H,18H2,(H,33,36)/b28-19-/t27-/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	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067451 (CHEMBL3401804) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C31H23N3O6S3/c35-29(32-43(39,40)26-17-15-25(16-18-26)34(37)38)27(19-21-7-3-1-4-8-21)33-30(36)28(42-31(33)41)20-22-11-13-24(14-12-22)23-9-5-2-6-10-23/h1-18,20,27H,19H2,(H,32,35)/b28-20-/t27-/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	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067464 (CHEMBL3401798) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C31H23N3O6S3/c35-29(32-43(39,40)26-9-5-2-6-10-26)27(19-21-7-3-1-4-8-21)33-30(36)28(42-31(33)41)20-22-11-13-23(14-12-22)24-15-17-25(18-16-24)34(37)38/h1-18,20,27H,19H2,(H,32,35)/b28-20-/t27-/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	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067461 (CHEMBL3401799) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C33H25BrN2O6S3/c1-42-32(39)25-15-13-24(14-16-25)23-11-7-22(8-12-23)20-29-31(38)36(33(43)44-29)28(19-21-9-17-26(34)18-10-21)30(37)35-45(40,41)27-5-3-2-4-6-27/h2-18,20,28H,19H2,1H3,(H,35,37)/b29-20-/t28-/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	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067458 (CHEMBL3401801) Show SMILES Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C31H22BrClN2O4S3/c32-24-14-8-20(9-15-24)18-27(29(36)34-42(38,39)26-4-2-1-3-5-26)35-30(37)28(41-31(35)40)19-21-6-10-22(11-7-21)23-12-16-25(33)17-13-23/h1-17,19,27H,18H2,(H,34,36)/b28-19-/t27-/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	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067454 (CHEMBL3401802) Show SMILES Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C33H24ClN3O4S3/c34-25-16-14-23(15-17-25)22-12-10-21(11-13-22)18-30-32(39)37(33(42)43-30)29(19-24-20-35-28-9-5-4-8-27(24)28)31(38)36-44(40,41)26-6-2-1-3-7-26/h1-18,20,29,35H,19H2,(H,36,38)/b30-18-/t29-/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	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50067364 (CHEMBL3401816) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C31H21BrClN3O6S3/c32-23-9-3-19(4-10-23)17-27(29(37)34-45(41,42)26-15-13-25(14-16-26)36(39)40)35-30(38)28(44-31(35)43)18-20-1-5-21(6-2-20)22-7-11-24(33)12-8-22/h1-16,18,27H,17H2,(H,34,37)/b28-18-/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-2 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067450 (CHEMBL3401805) Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C31H23ClN2O4S3/c32-25-15-17-26(18-16-25)41(37,38)33-29(35)27(19-21-7-3-1-4-8-21)34-30(36)28(40-31(34)39)20-22-11-13-24(14-12-22)23-9-5-2-6-10-23/h1-18,20,27H,19H2,(H,33,35)/b28-20-/t27-/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	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067466 (CHEMBL3401793) Show SMILES Brc1ccc(C[C@H](N2C(=S)S\C(=C/c3ccc(cc3)-c3ccccc3)C2=O)C(=O)NS(=O)(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C31H23BrN2O4S3/c32-25-17-13-21(14-18-25)19-27(29(35)33-41(37,38)26-9-5-2-6-10-26)34-30(36)28(40-31(34)39)20-22-11-15-24(16-12-22)23-7-3-1-4-8-23/h1-18,20,27H,19H2,(H,33,35)/b28-20-/t27-/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	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50067460 (CHEMBL3401800) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C31H22BrN3O6S3/c32-24-14-8-20(9-15-24)18-27(29(36)33-44(40,41)26-4-2-1-3-5-26)34-30(37)28(43-31(34)42)19-21-6-10-22(11-7-21)23-12-16-25(17-13-23)35(38)39/h1-17,19,27H,18H2,(H,33,36)/b28-19-/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-2 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067449 (CHEMBL3401806) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C31H22ClN3O6S3/c32-25-16-15-24(19-26(25)35(38)39)44(40,41)33-29(36)27(17-20-7-3-1-4-8-20)34-30(37)28(43-31(34)42)18-21-11-13-23(14-12-21)22-9-5-2-6-10-22/h1-16,18-19,27H,17H2,(H,33,36)/b28-18-/t27-/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	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067452 (CHEMBL3401803) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C33H24N4O6S3/c38-31(35-46(42,43)26-6-2-1-3-7-26)29(19-24-20-34-28-9-5-4-8-27(24)28)36-32(39)30(45-33(36)44)18-21-10-12-22(13-11-21)23-14-16-25(17-15-23)37(40)41/h1-18,20,29,34H,19H2,(H,35,38)/b30-18-/t29-/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	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067475 (CHEMBL3400166) Show SMILES CC(C)[C@H](N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O)C(=O)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H24N2O4S3/c1-18(2)24(25(30)28-36(32,33)22-11-7-4-8-12-22)29-26(31)23(35-27(29)34)17-19-13-15-21(16-14-19)20-9-5-3-6-10-20/h3-18,24H,1-2H3,(H,28,30)/b23-17-/t24-/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	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50067354 (CHEMBL3401826) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C32H26N2O4S3/c1-22-12-18-27(19-13-22)41(37,38)33-30(35)28(20-23-8-4-2-5-9-23)34-31(36)29(40-32(34)39)21-24-14-16-26(17-15-24)25-10-6-3-7-11-25/h2-19,21,28H,20H2,1H3,(H,33,35)/b29-21-/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-2 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067371 (CHEMBL3401809) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C31H22ClN3O6S3/c32-24-12-10-23(11-13-24)22-8-6-21(7-9-22)19-28-30(37)34(31(42)43-28)27(18-20-4-2-1-3-5-20)29(36)33-44(40,41)26-16-14-25(15-17-26)35(38)39/h1-17,19,27H,18H2,(H,33,36)/b28-19-/t27-/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	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067358 (CHEMBL3401822) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067365 (CHEMBL3401815) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C31H20BrCl2N3O6S3/c32-22-9-3-18(4-10-22)15-27(29(38)35-46(42,43)24-13-14-25(34)26(17-24)37(40)41)36-30(39)28(45-31(36)44)16-19-1-5-20(6-2-19)21-7-11-23(33)12-8-21/h1-14,16-17,27H,15H2,(H,35,38)/b28-16-/t27-/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	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067364 (CHEMBL3401816) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C31H21BrClN3O6S3/c32-23-9-3-19(4-10-23)17-27(29(37)34-45(41,42)26-15-13-25(14-16-26)36(39)40)35-30(38)28(44-31(35)43)18-20-1-5-21(6-2-20)22-7-11-24(33)12-8-22/h1-16,18,27H,17H2,(H,34,37)/b28-18-/t27-/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	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067354 (CHEMBL3401826) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C32H26N2O4S3/c1-22-12-18-27(19-13-22)41(37,38)33-30(35)28(20-23-8-4-2-5-9-23)34-31(36)29(40-32(34)39)21-24-14-16-26(17-15-24)25-10-6-3-7-11-25/h2-19,21,28H,20H2,1H3,(H,33,35)/b29-21-/t28-/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	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067356 (CHEMBL3401824) Show SMILES Cc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067465 (CHEMBL3401794) Show SMILES O=C(NS(=O)(=O)c1ccccc1)[C@H](Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C33H25N3O4S3/c37-31(35-43(39,40)26-11-5-2-6-12-26)29(20-25-21-34-28-14-8-7-13-27(25)28)36-32(38)30(42-33(36)41)19-22-15-17-24(18-16-22)23-9-3-1-4-10-23/h1-19,21,29,34H,20H2,(H,35,37)/b30-19-/t29-/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	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Diphosphomevalonate decarboxylase (Homo sapiens (Human))	BDBM50287713 ([methyl(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)...) Show SMILES CN(CCOP([O-])(=O)OP([O-])([O-])=O)CC([O-])=O Show InChI InChI=1S/C5H13NO9P2/c1-6(4-5(7)8)2-3-14-17(12,13)15-16(9,10)11/h2-4H2,1H3,(H,7,8)(H,12,13)(H2,9,10,11)/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase				Bioorg Med Chem Lett 6: 2091-2096 (1996) Article DOI: 10.1016/0960-894X(96)00374-5 BindingDB Entry DOI: 10.7270/Q2930TPB
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067357 (CHEMBL3401823) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067359 (CHEMBL3401821) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)C2=O)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067369 (CHEMBL3401811) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 |r| Show InChI InChI=1S/C31H22N4O8S3/c36-29(32-46(42,43)26-16-14-25(15-17-26)35(40)41)27(18-20-4-2-1-3-5-20)33-30(37)28(45-31(33)44)19-21-6-8-22(9-7-21)23-10-12-24(13-11-23)34(38)39/h1-17,19,27H,18H2,(H,32,36)/b28-19-/t27-/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	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067367 (CHEMBL3401813) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C32H22F3N3O6S3/c33-32(34,35)24-12-10-23(11-13-24)22-8-6-21(7-9-22)19-28-30(40)37(31(45)46-28)27(18-20-4-2-1-3-5-20)29(39)36-47(43,44)26-16-14-25(15-17-26)38(41)42/h1-17,19,27H,18H2,(H,36,39)/b28-19-/t27-/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	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067368 (CHEMBL3401812) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C32H21ClF3N3O6S3/c33-25-15-14-24(18-26(25)39(42)43)48(44,45)37-29(40)27(16-19-4-2-1-3-5-19)38-30(41)28(47-31(38)46)17-20-6-8-21(9-7-20)22-10-12-23(13-11-22)32(34,35)36/h1-15,17-18,27H,16H2,(H,37,40)/b28-17-/t27-/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	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067361 (CHEMBL3401819) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C32H21BrF3N3O6S3/c33-24-11-3-19(4-12-24)17-27(29(40)37-48(44,45)26-15-13-25(14-16-26)39(42)43)38-30(41)28(47-31(38)46)18-20-1-5-21(6-2-20)22-7-9-23(10-8-22)32(34,35)36/h1-16,18,27H,17H2,(H,37,40)/b28-18-/t27-/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	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067468 (CHEMBL3401797) Show SMILES CSCC[C@H](N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O)C(=O)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H24N2O4S4/c1-35-17-16-23(25(30)28-37(32,33)22-10-6-3-7-11-22)29-26(31)24(36-27(29)34)18-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,18,23H,16-17H2,1H3,(H,28,30)/b24-18-/t23-/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	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067362 (CHEMBL3401818) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C32H20BrClF3N3O6S3/c33-23-11-3-18(4-12-23)15-27(29(41)38-49(45,46)24-13-14-25(34)26(17-24)40(43)44)39-30(42)28(48-31(39)47)16-19-1-5-20(6-2-19)21-7-9-22(10-8-21)32(35,36)37/h1-14,16-17,27H,15H2,(H,38,41)/b28-16-/t27-/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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067370 (CHEMBL3401810) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)C2=O)cc1 |r| Show InChI InChI=1S/C33H24ClN3O8S3/c1-45-32(40)24-13-11-23(12-14-24)22-9-7-21(8-10-22)18-29-31(39)36(33(46)47-29)28(17-20-5-3-2-4-6-20)30(38)35-48(43,44)25-15-16-26(34)27(19-25)37(41)42/h2-16,18-19,28H,17H2,1H3,(H,35,38)/b29-18-/t28-/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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067448 (CHEMBL3401807) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C31H21Cl2N3O6S3/c32-23-12-10-22(11-13-23)21-8-6-20(7-9-21)17-28-30(38)35(31(43)44-28)27(16-19-4-2-1-3-5-19)29(37)34-45(41,42)24-14-15-25(33)26(18-24)36(39)40/h1-15,17-18,27H,16H2,(H,34,37)/b28-17-/t27-/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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067476 (CHEMBL3401795) Show SMILES C[C@H](N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O)C(=O)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H20N2O4S3/c1-17(23(28)26-34(30,31)21-10-6-3-7-11-21)27-24(29)22(33-25(27)32)16-18-12-14-20(15-13-18)19-8-4-2-5-9-19/h2-17H,1H3,(H,26,28)/b22-16-/t17-/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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067372 (CHEMBL3401808) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)C2=O)cc1 |r| Show InChI InChI=1S/C31H21ClN4O8S3/c32-25-15-14-24(18-26(25)36(41)42)47(43,44)33-29(37)27(16-19-4-2-1-3-5-19)34-30(38)28(46-31(34)45)17-20-6-8-21(9-7-20)22-10-12-23(13-11-22)35(39)40/h1-15,17-18,27H,16H2,(H,33,37)/b28-17-/t27-/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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067360 (CHEMBL3401820) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067366 (CHEMBL3401814) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)C2=O)cc1 |r| Show InChI InChI=1S/C31H20BrClN4O8S3/c32-22-9-3-18(4-10-22)15-27(29(38)34-48(44,45)24-13-14-25(33)26(17-24)37(42)43)35-30(39)28(47-31(35)46)16-19-1-5-20(6-2-19)21-7-11-23(12-8-21)36(40)41/h1-14,16-17,27H,15H2,(H,34,38)/b28-16-/t27-/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	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50482966 (CHEMBL1270818) Show SMILES Cn1cc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3-c12 Show InChI InChI=1S/C18H24N6O3S/c1-23-10-14(17(19)25)13-4-3-11-9-20-18(22-15(11)16(13)23)21-12-5-7-24(8-6-12)28(2,26)27/h9-10,12H,3-8H2,1-2H3,(H2,19,25)(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A				Bioorg Med Chem Lett 20: 6764-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.131 BindingDB Entry DOI: 10.7270/Q2X069V6
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50482978 (CHEMBL1271330) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3CCc4c(cn(C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C23H27N7O/c1-28-8-10-30(11-9-28)17-5-3-4-16(12-17)26-23-25-13-15-6-7-18-19(22(24)31)14-29(2)21(18)20(15)27-23/h3-5,12-14H,6-11H2,1-2H3,(H2,24,31)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A				Bioorg Med Chem Lett 20: 6764-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.131 BindingDB Entry DOI: 10.7270/Q2X069V6
					More data for this Ligand-Target Pair

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