Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'yu' and Initial = 'vc'   

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))	BDBM50308110 ((S,Z)-2-(5-((6-(2,3-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-10-6-9-18(23(21)33-2)19-12-11-17(15-27-19)14-22-24(29)28(26(34)35-22)20(25(30)31)13-16-7-4-3-5-8-16/h3-12,14-15,20H,13H2,1-2H3,(H,30,31)/b22-14-/t20-/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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Binding affinity to human Bcl-XL by isothermal titration calorimetry				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50308110 ((S,Z)-2-(5-((6-(2,3-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-10-6-9-18(23(21)33-2)19-12-11-17(15-27-19)14-22-24(29)28(26(34)35-22)20(25(30)31)13-16-7-4-3-5-8-16/h3-12,14-15,20H,13H2,1-2H3,(H,30,31)/b22-14-/t20-/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	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled Bak-BH3 peptide from human Bcl-XL by fluorescence polarization assay				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50107130 ((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...) Show SMILES CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Binding affinity to human Bcl-XL by isothermal titration calorimetry				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50107130 ((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...) Show SMILES CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled Bak-BH3 peptide from human Bcl-XL by fluorescence polarization assay				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50308111 ((S,Z)-2-(5-((6-(3,4-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1ccc(cc1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-11-9-18(14-22(21)33-2)19-10-8-17(15-27-19)13-23-24(29)28(26(34)35-23)20(25(30)31)12-16-6-4-3-5-7-16/h3-11,13-15,20H,12H2,1-2H3,(H,30,31)/b23-13-/t20-/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
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled Bak-BH3 peptide from human Bcl-XL by fluorescence polarization assay				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50308111 ((S,Z)-2-(5-((6-(3,4-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1ccc(cc1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-11-9-18(14-22(21)33-2)19-10-8-17(15-27-19)13-23-24(29)28(26(34)35-23)20(25(30)31)12-16-6-4-3-5-7-16/h3-11,13-15,20H,12H2,1-2H3,(H,30,31)/b23-13-/t20-/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	>7.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Binding affinity to human Bcl-XL by isothermal titration calorimetry				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25537 (4-(2-hydroxyethyl)-8-methyl-12,14-dioxa-8-azatetra...) Show SMILES C[n+]1cc2c3OCOc3ccc2c2cc(CCO)ccc12 Show InChI InChI=1S/C17H16NO3/c1-18-9-14-12(3-5-16-17(14)21-10-20-16)13-8-11(6-7-19)2-4-15(13)18/h2-5,8-9,19H,6-7,10H2,1H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50293171 ((1R,2S,4S,6E,8S,11R,12R,13S,14R,15R,22R)-13-hydrox...) Show SMILES C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]34OC5=C(C)C(=O)C(=O)C([C@H](O2)[C@H](C)[C@H]1O)=C5[C@H]3OC1(CCN(C)CC1)O4 |r,c:7,18,33| Show InChI InChI=1S/C35H51NO7/c1-18-9-10-25-22(5)28(37)23(6)31(40-25)26-27-32(24(7)29(38)30(26)39)41-35(21(4)17-20(3)16-19(2)15-18)33(27)42-34(43-35)11-13-36(8)14-12-34/h15,18,20-23,25,28,31,33,37H,9-14,16-17H2,1-8H3/b19-15+/t18-,20+,21-,22-,23+,25+,28-,31+,33+,35-/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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
MerLion Pharmaceuticals Pte Ltd Curated by ChEMBL					Assay Description Inhibition of interaction between GST-tagged Bcl-xl and Bak by fluorescence polarization assay				Bioorg Med Chem Lett 18: 5771-3 (2009) Article DOI: 10.1016/j.bmcl.2008.09.071 BindingDB Entry DOI: 10.7270/Q2DF6R7B
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25539 (4-(2-methoxyethyl)-8-methyl-12,14-dioxa-8-azatetra...) Show SMILES COCCc1ccc2[n+](C)cc3c4OCOc4ccc3c2c1 Show InChI InChI=1S/C18H18NO3/c1-19-10-15-13(4-6-17-18(15)22-11-21-17)14-9-12(7-8-20-2)3-5-16(14)19/h3-6,9-10H,7-8,11H2,1-2H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50293172 ((1R,2S,4S,6E,8S,11R,12R,13S,14R,15R,22R)-13-hydrox...) Show SMILES C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]34OC5=C(C)C(=O)C(=O)C([C@H](O2)[C@H](C)[C@H]1O)=C5[C@H]3OC(C)(C)O4 |r,c:7,18,33| Show InChI InChI=1S/C32H46O7/c1-15-10-11-22-19(5)25(33)20(6)28(36-22)23-24-29(21(7)26(34)27(23)35)37-32(30(24)38-31(8,9)39-32)18(4)14-17(3)13-16(2)12-15/h12,15,17-20,22,25,28,30,33H,10-11,13-14H2,1-9H3/b16-12+/t15-,17+,18-,19-,20+,22+,25-,28+,30+,32+/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	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
MerLion Pharmaceuticals Pte Ltd Curated by ChEMBL					Assay Description Inhibition of interaction between GST-tagged Bcl-xl and Bak by fluorescence polarization assay				Bioorg Med Chem Lett 18: 5771-3 (2009) Article DOI: 10.1016/j.bmcl.2008.09.071 BindingDB Entry DOI: 10.7270/Q2DF6R7B
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25536 (4-(hydroxymethyl)-8-methyl-12,14-dioxa-8-azatetrac...) Show SMILES C[n+]1cc2c3OCOc3ccc2c2cc(CO)ccc12 Show InChI InChI=1S/C16H14NO3/c1-17-7-13-11(3-5-15-16(13)20-9-19-15)12-6-10(8-18)2-4-14(12)17/h2-7,18H,8-9H2,1H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25538 (4-(methoxymethyl)-8-methyl-12,14-dioxa-8-azatetrac...) Show SMILES COCc1ccc2[n+](C)cc3c4OCOc4ccc3c2c1 Show InChI InChI=1S/C17H16NO3/c1-18-8-14-12(4-6-16-17(14)21-10-20-16)13-7-11(9-19-2)3-5-15(13)18/h3-8H,9-10H2,1-2H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25530 (8-methyl-12,14-dioxa-8-azatetracyclo[8.7.0.0^{2,7}...) Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccccc12 Show InChI InChI=1S/C15H12NO2/c1-16-8-12-10(11-4-2-3-5-13(11)16)6-7-14-15(12)18-9-17-14/h2-8H,9H2,1H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50293169 (CHEMBL523927 | kendomycin) Show SMILES C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]3(O)OC4=C(C)C(=O)C(=O)C([C@H](O2)[C@H](C)[C@H]1O)C4=C3 |r,c:7,19,36| Show InChI InChI=1S/C29H42O6/c1-14-8-9-22-18(5)24(30)19(6)28(34-22)23-21-13-29(33,17(4)12-16(3)11-15(2)10-14)35-27(21)20(7)25(31)26(23)32/h10,13-14,16-19,22-24,28,30,33H,8-9,11-12H2,1-7H3/b15-10+/t14-,16+,17-,18-,19+,22+,23?,24-,28+,29+/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	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
MerLion Pharmaceuticals Pte Ltd Curated by ChEMBL					Assay Description Inhibition of interaction between GST-tagged Bcl-xl and Bak by fluorescence polarization assay				Bioorg Med Chem Lett 18: 5771-3 (2009) Article DOI: 10.1016/j.bmcl.2008.09.071 BindingDB Entry DOI: 10.7270/Q2DF6R7B
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25540 (7,8-dihydroxy-5-methylphenanthridin-5-ium chloride...) Show SMILES Cn1cc2c(ccc(O)c2=[OH+])c2ccccc12 Show InChI InChI=1S/C14H11NO2/c1-15-8-11-9(6-7-13(16)14(11)17)10-4-2-3-5-12(10)15/h2-8,16H,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25525 (24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...) Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12 Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25541 (7,8-dihydroxy-2-(hydroxymethyl)-5-methylphenanthri...) Show SMILES Cn1cc2c(ccc(O)c2=[OH+])c2cc(CO)ccc12 Show InChI InChI=1S/C15H13NO3/c1-16-7-12-10(3-5-14(18)15(12)19)11-6-9(8-17)2-4-13(11)16/h2-7,17-18H,8H2,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25542 (7,8-dihydroxy-2-(2-hydroxyethyl)-5-methylphenanthr...) Show SMILES Cn1cc2c(ccc(O)c2=[OH+])c2cc(CCO)ccc12 Show InChI InChI=1S/C16H15NO3/c1-17-9-13-11(3-5-15(19)16(13)20)12-8-10(6-7-18)2-4-14(12)17/h2-5,8-9,18-19H,6-7H2,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25534 (13,13-dimethyl-8-oxido-12,14-dioxa-8-azatetracyclo...) Show SMILES CC1(C)Oc2ccc3c(c[n+]([O-])c4ccccc34)c2O1 Show InChI InChI=1S/C16H13NO3/c1-16(2)19-14-8-7-10-11-5-3-4-6-13(11)17(18)9-12(10)15(14)20-16/h3-9H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25532 (7,8-dimethoxy-5-oxidophenanthridin-5-ium | chelery...) Show SMILES COc1ccc2c(c[n+]([O-])c3ccccc23)c1OC Show InChI InChI=1S/C15H13NO3/c1-18-14-8-7-10-11-5-3-4-6-13(11)16(17)9-12(10)15(14)19-2/h3-9H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25524 (17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...) Show SMILES COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC Show InChI InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25526 (7,8-dimethoxyphenanthridine | chelerythrine analog...) Show SMILES COc1ccc2c(cnc3ccccc23)c1OC Show InChI InChI=1S/C15H13NO2/c1-17-14-8-7-10-11-5-3-4-6-13(11)16-9-12(10)15(14)18-2/h3-9H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25527 (12,14-dioxa-8-azatetracyclo[8.7.0.0^{2,7}.0^{11,15...) Show SMILES C1Oc2ccc3c(cnc4ccccc34)c2O1 Show InChI InChI=1S/C14H9NO2/c1-2-4-12-10(3-1)9-5-6-13-14(17-8-16-13)11(9)7-15-12/h1-7H,8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25528 (13,13-dimethyl-12,14-dioxa-8-azatetracyclo[8.7.0.0...) Show SMILES CC1(C)Oc2ccc3c(cnc4ccccc34)c2O1 Show InChI InChI=1S/C16H13NO2/c1-16(2)18-14-8-7-10-11-5-3-4-6-13(11)17-9-12(10)15(14)19-16/h3-9H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25529 (7,8-dimethoxy-5-methylphenanthridin-5-ium iodide |...) Show SMILES COc1ccc2c(c[n+](C)c3ccccc23)c1OC Show InChI InChI=1S/C16H16NO2/c1-17-10-13-11(12-6-4-5-7-14(12)17)8-9-15(18-2)16(13)19-3/h4-10H,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25531 (8,13,13-trimethyl-12,14-dioxa-8-azatetracyclo[8.7....) Show SMILES C[n+]1cc2c3OC(C)(C)Oc3ccc2c2ccccc12 Show InChI InChI=1S/C17H16NO2/c1-17(2)19-15-9-8-11-12-6-4-5-7-14(12)18(3)10-13(11)16(15)20-17/h4-10H,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25535 (2-(hydroxymethyl)-7,8-dimethoxy-5-methylphenanthri...) Show SMILES COc1ccc2c(c[n+](C)c3ccc(CO)cc23)c1OC Show InChI InChI=1S/C17H18NO3/c1-18-9-14-12(5-7-16(20-2)17(14)21-3)13-8-11(10-19)4-6-15(13)18/h4-9,19H,10H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25533 (8-oxido-12,14-dioxa-8-azatetracyclo[8.7.0.0^{2,7}....) Show SMILES [O-][n+]1cc2c3OCOc3ccc2c2ccccc12 Show InChI InChI=1S/C14H9NO3/c16-15-7-11-9(10-3-1-2-4-12(10)15)5-6-13-14(11)18-8-17-13/h1-7H,8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50293170 ((1R,12S,16S,19R,20R,21S,22R)-4,8,21-Trihydroxy-10-...) Show SMILES C[C@@H]1[C@H](O)[C@@H](C)[C@H]2O[C@@H]1CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)C(=O)C(O)C1=C2C(=O)C(=O)C(C)C1=O |r,c:14,27| Show InChI InChI=1S/C29H42O7/c1-13-8-9-20-17(5)24(31)19(7)29(36-20)22-21(25(32)18(6)26(33)28(22)35)27(34)23(30)16(4)12-15(3)11-14(2)10-13/h10,13,15-20,24,27,29,31,34H,8-9,11-12H2,1-7H3/b14-10+/t13-,15+,16-,17-,18?,19+,20+,24-,27?,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
MerLion Pharmaceuticals Pte Ltd Curated by ChEMBL					Assay Description Inhibition of interaction between GST-tagged Bcl-xl and Bak by fluorescence polarization assay				Bioorg Med Chem Lett 18: 5771-3 (2009) Article DOI: 10.1016/j.bmcl.2008.09.071 BindingDB Entry DOI: 10.7270/Q2DF6R7B
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50308110 ((S,Z)-2-(5-((6-(2,3-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-10-6-9-18(23(21)33-2)19-12-11-17(15-27-19)14-22-24(29)28(26(34)35-22)20(25(30)31)13-16-7-4-3-5-8-16/h3-12,14-15,20H,13H2,1-2H3,(H,30,31)/b22-14-/t20-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled Bak-BH3 peptide from human Mcl1 by fluorescence polarization assay				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50308111 ((S,Z)-2-(5-((6-(3,4-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1ccc(cc1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-11-9-18(14-22(21)33-2)19-10-8-17(15-27-19)13-23-24(29)28(26(34)35-23)20(25(30)31)12-16-6-4-3-5-7-16/h3-11,13-15,20H,12H2,1-2H3,(H,30,31)/b23-13-/t20-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled Bak-BH3 peptide from human Mcl1 by fluorescence polarization assay				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50107130 ((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...) Show SMILES CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled Bak-BH3 peptide from human Mcl1 by fluorescence polarization assay				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50308110 ((S,Z)-2-(5-((6-(2,3-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-10-6-9-18(23(21)33-2)19-12-11-17(15-27-19)14-22-24(29)28(26(34)35-22)20(25(30)31)13-16-7-4-3-5-8-16/h3-12,14-15,20H,13H2,1-2H3,(H,30,31)/b22-14-/t20-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Binding affinity to human Mcl1 by isothermal titration calorimetry				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50293169 (CHEMBL523927 | kendomycin) Show SMILES C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]3(O)OC4=C(C)C(=O)C(=O)C([C@H](O2)[C@H](C)[C@H]1O)C4=C3 |r,c:7,19,36| Show InChI InChI=1S/C29H42O6/c1-14-8-9-22-18(5)24(30)19(6)28(34-22)23-21-13-29(33,17(4)12-16(3)11-15(2)10-14)35-27(21)20(7)25(31)26(23)32/h10,13-14,16-19,22-24,28,30,33H,8-9,11-12H2,1-7H3/b15-10+/t14-,16+,17-,18-,19+,22+,23?,24-,28+,29+/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	n/a	5.28E+5	n/a	n/a	n/a	n/a	n/a
MerLion Pharmaceuticals Pte Ltd Curated by ChEMBL					Assay Description Inhibition of interaction between GST-tagged Bcl-xl and Bak by surface plasmon resonance assay				Bioorg Med Chem Lett 18: 5771-3 (2009) Article DOI: 10.1016/j.bmcl.2008.09.071 BindingDB Entry DOI: 10.7270/Q2DF6R7B
					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	n/a	n/a	n/a	3.38E+5	n/a	n/a	n/a	n/a	n/a
MerLion Pharmaceuticals Pte Ltd Curated by ChEMBL					Assay Description Inhibition of interaction between Bcl-xl and Bak by surface plasmon resonance assay				Bioorg Med Chem Lett 18: 5771-3 (2009) Article DOI: 10.1016/j.bmcl.2008.09.071 BindingDB Entry DOI: 10.7270/Q2DF6R7B
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50293171 ((1R,2S,4S,6E,8S,11R,12R,13S,14R,15R,22R)-13-hydrox...) Show SMILES C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]34OC5=C(C)C(=O)C(=O)C([C@H](O2)[C@H](C)[C@H]1O)=C5[C@H]3OC1(CCN(C)CC1)O4 |r,c:7,18,33| Show InChI InChI=1S/C35H51NO7/c1-18-9-10-25-22(5)28(37)23(6)31(40-25)26-27-32(24(7)29(38)30(26)39)41-35(21(4)17-20(3)16-19(2)15-18)33(27)42-34(43-35)11-13-36(8)14-12-34/h15,18,20-23,25,28,31,33,37H,9-14,16-17H2,1-8H3/b19-15+/t18-,20+,21-,22-,23+,25+,28-,31+,33+,35-/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	n/a	3.99E+5	n/a	n/a	n/a	n/a	n/a
MerLion Pharmaceuticals Pte Ltd Curated by ChEMBL					Assay Description Inhibition of interaction between Bcl-xl and Bak by surface plasmon resonance assay				Bioorg Med Chem Lett 18: 5771-3 (2009) Article DOI: 10.1016/j.bmcl.2008.09.071 BindingDB Entry DOI: 10.7270/Q2DF6R7B
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50293169 (CHEMBL523927 | kendomycin) Show SMILES C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]3(O)OC4=C(C)C(=O)C(=O)C([C@H](O2)[C@H](C)[C@H]1O)C4=C3 |r,c:7,19,36| Show InChI InChI=1S/C29H42O6/c1-14-8-9-22-18(5)24(30)19(6)28(34-22)23-21-13-29(33,17(4)12-16(3)11-15(2)10-14)35-27(21)20(7)25(31)26(23)32/h10,13-14,16-19,22-24,28,30,33H,8-9,11-12H2,1-7H3/b15-10+/t14-,16+,17-,18-,19+,22+,23?,24-,28+,29+/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	n/a	1.83E+6	n/a	n/a	n/a	n/a	n/a
MerLion Pharmaceuticals Pte Ltd Curated by ChEMBL					Assay Description Inhibition of interaction between Bcl-xl and Bak by surface plasmon resonance assay				Bioorg Med Chem Lett 18: 5771-3 (2009) Article DOI: 10.1016/j.bmcl.2008.09.071 BindingDB Entry DOI: 10.7270/Q2DF6R7B
					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	n/a	n/a	n/a	1.71E+3	n/a	n/a	n/a	n/a	n/a
MerLion Pharmaceuticals Pte Ltd Curated by ChEMBL					Assay Description Inhibition of interaction between GST-tagged Bcl-xl and Bak by surface plasmon resonance assay				Bioorg Med Chem Lett 18: 5771-3 (2009) Article DOI: 10.1016/j.bmcl.2008.09.071 BindingDB Entry DOI: 10.7270/Q2DF6R7B
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50293171 ((1R,2S,4S,6E,8S,11R,12R,13S,14R,15R,22R)-13-hydrox...) Show SMILES C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]34OC5=C(C)C(=O)C(=O)C([C@H](O2)[C@H](C)[C@H]1O)=C5[C@H]3OC1(CCN(C)CC1)O4 |r,c:7,18,33| Show InChI InChI=1S/C35H51NO7/c1-18-9-10-25-22(5)28(37)23(6)31(40-25)26-27-32(24(7)29(38)30(26)39)41-35(21(4)17-20(3)16-19(2)15-18)33(27)42-34(43-35)11-13-36(8)14-12-34/h15,18,20-23,25,28,31,33,37H,9-14,16-17H2,1-8H3/b19-15+/t18-,20+,21-,22-,23+,25+,28-,31+,33+,35-/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	n/a	3.77E+5	n/a	n/a	n/a	n/a	n/a
MerLion Pharmaceuticals Pte Ltd Curated by ChEMBL					Assay Description Inhibition of interaction between GST-tagged Bcl-xl and Bak by surface plasmon resonance assay				Bioorg Med Chem Lett 18: 5771-3 (2009) Article DOI: 10.1016/j.bmcl.2008.09.071 BindingDB Entry DOI: 10.7270/Q2DF6R7B
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50293170 ((1R,12S,16S,19R,20R,21S,22R)-4,8,21-Trihydroxy-10-...) Show SMILES C[C@@H]1[C@H](O)[C@@H](C)[C@H]2O[C@@H]1CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)C(=O)C(O)C1=C2C(=O)C(=O)C(C)C1=O |r,c:14,27| Show InChI InChI=1S/C29H42O7/c1-13-8-9-20-17(5)24(31)19(7)29(36-20)22-21(25(32)18(6)26(33)28(22)35)27(34)23(30)16(4)12-15(3)11-14(2)10-13/h10,13,15-20,24,27,29,31,34H,8-9,11-12H2,1-7H3/b14-10+/t13-,15+,16-,17-,18?,19+,20+,24-,27?,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.08E+7	n/a	n/a	n/a	n/a	n/a
MerLion Pharmaceuticals Pte Ltd Curated by ChEMBL					Assay Description Inhibition of interaction between GST-tagged Bcl-xl and Bak by surface plasmon resonance assay				Bioorg Med Chem Lett 18: 5771-3 (2009) Article DOI: 10.1016/j.bmcl.2008.09.071 BindingDB Entry DOI: 10.7270/Q2DF6R7B
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50308111 ((S,Z)-2-(5-((6-(3,4-dimethoxyphenyl)pyridin-3-yl)m...) Show SMILES COc1ccc(cc1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r| Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-11-9-18(14-22(21)33-2)19-10-8-17(15-27-19)13-23-24(29)28(26(34)35-23)20(25(30)31)12-16-6-4-3-5-7-16/h3-11,13-15,20H,12H2,1-2H3,(H,30,31)/b23-13-/t20-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Binding affinity to human Mcl1 by isothermal titration calorimetry				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50107130 ((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...) Show SMILES CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a
Institute of Chemical and Engineering Sciences Curated by ChEMBL					Assay Description Binding affinity to human Mcl1 by isothermal titration calorimetry				J Med Chem 53: 2314-8 (2010) Article DOI: 10.1021/jm901469p BindingDB Entry DOI: 10.7270/Q2K937NJ
					More data for this Ligand-Target Pair