Compile Data Set for Download or QSAR

Found 200 hits with Last Name = 'vigil' and Initial = 'd'   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086706 (CHEMBL3426335) Show SMILES COCCCc1c(C(O)=O)n(CCN2CCOCC2)c2c(cccc12)-c1c(C)nn(C)c1COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)N(C)C |(6.12,5.96,;5.74,4.79,;4.23,4.48,;3.75,3.01,;2.24,2.7,;1.76,1.24,;2.66,.02,;4.2,.04,;4.83,-1.02,;4.8,1.11,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.25,;5.2,-7.4,;3.69,-7.08,;3.21,-5.62,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-1.02,-3.09,;.23,-3.96,;1.4,-3.56,;-.23,-5.43,;-1.77,-5.45,;-2.48,-6.45,;-2.26,-3.99,;-3.73,-3.52,;-4.87,-4.56,;-6.33,-4.09,;-7.48,-5.12,;-8.94,-4.65,;-9.27,-3.14,;-8.12,-2.11,;-6.66,-2.58,;-10.73,-2.67,;-11.88,-3.7,;-13.34,-3.23,;-13.66,-1.72,;-12.52,-.69,;-11.05,-1.16,;-15.13,-1.25,;-15.39,-.04,;-16.3,-.87,;-16.27,-2.28,;-17.45,-1.9,;-16.02,-3.48,)| Show InChI InChI=1S/C37H51N7O7S/c1-27-34(33(40(4)38-27)26-51-29-13-11-28(12-14-29)42-16-18-43(19-17-42)52(47,48)39(2)3)32-9-6-8-30-31(10-7-23-49-5)36(37(45)46)44(35(30)32)20-15-41-21-24-50-25-22-41/h6,8-9,11-14H,7,10,15-26H2,1-5H3,(H,45,46)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.454	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to GST-tagged Mcl-1 (unknown origin) incubated for 60 mins by TR-FRET-binding affinity assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086692 (CHEMBL3426333) Show SMILES Cc1cc(OCCCc2c(C(O)=O)n3CCCc4c(Cl)ccc2c34)cc(C)c1Cl Show InChI InChI=1S/C23H23Cl2NO3/c1-13-11-15(12-14(2)20(13)25)29-10-4-6-16-17-7-8-19(24)18-5-3-9-26(21(17)18)22(16)23(27)28/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086693 (CHEMBL3426334) Show SMILES Cc1cc(OCCCc2c(C(O)=O)n3CCOc4c(Cl)ccc2c34)cc(C)c1Cl Show InChI InChI=1S/C22H21Cl2NO4/c1-12-10-14(11-13(2)18(12)24)28-8-3-4-15-16-5-6-17(23)21-19(16)25(7-9-29-21)20(15)22(26)27/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086691 (CHEMBL3426332) Show SMILES Cc1cc(OCCCc2c(C(O)=O)n3CCCSc4cccc2c34)cc(C)c1Cl Show InChI InChI=1S/C23H24ClNO3S/c1-14-12-16(13-15(2)20(14)24)28-10-4-7-18-17-6-3-8-19-21(17)25(9-5-11-29-19)22(18)23(26)27/h3,6,8,12-13H,4-5,7,9-11H2,1-2H3,(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424732 (CHEMBL2314209) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C20H19Cl2NO3/c1-11-8-14(9-12(2)18(11)22)26-7-3-4-16-15-6-5-13(21)10-17(15)23-19(16)20(24)25/h5-6,8-10,23H,3-4,7H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086703 (CHEMBL3426324) Show SMILES OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCS3(=O)=O Show InChI InChI=1S/C25H23NO5S/c27-25(28)24-20(11-5-15-31-21-12-3-8-17-7-1-2-9-18(17)21)19-10-4-13-22-23(19)26(24)14-6-16-32(22,29)30/h1-4,7-10,12-13H,5-6,11,14-16H2,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086690 (CHEMBL3426331) Show SMILES Cc1cc(OCCCc2c(C(O)=O)n3CCOc4cccc2c34)cc(C)c1Cl Show InChI InChI=1S/C22H22ClNO4/c1-13-11-15(12-14(2)19(13)23)27-9-4-6-17-16-5-3-7-18-20(16)24(8-10-28-18)21(17)22(25)26/h3,5,7,11-12H,4,6,8-10H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424750 (CHEMBL2314502) Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2CCCCc12 Show InChI InChI=1S/C22H22ClNO3/c23-15-10-11-17-18(21(22(25)26)24-19(17)13-15)8-4-12-27-20-9-3-6-14-5-1-2-7-16(14)20/h3,6,9-11,13,24H,1-2,4-5,7-8,12H2,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086688 (CHEMBL3426329) Show SMILES Cc1cc(OCCCc2c(C(O)=O)n3CCSc4cccc2c34)cc(C)c1Cl Show InChI InChI=1S/C22H22ClNO3S/c1-13-11-15(12-14(2)19(13)23)27-9-4-6-17-16-5-3-7-18-20(16)24(8-10-28-18)21(17)22(25)26/h3,5,7,11-12H,4,6,8-10H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086702 (CHEMBL3426323) Show SMILES OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3[S+]([O-])CCCn1c23 Show InChI InChI=1S/C25H23NO4S/c27-25(28)24-20(19-10-4-13-22-23(19)26(24)14-6-16-31(22)29)11-5-15-30-21-12-3-8-17-7-1-2-9-18(17)21/h1-4,7-10,12-13H,5-6,11,14-16H2,(H,27,28)	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
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424731 (CHEMBL2314210) Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12 Show InChI InChI=1S/C22H18ClNO3/c23-15-10-11-17-18(21(22(25)26)24-19(17)13-15)8-4-12-27-20-9-3-6-14-5-1-2-7-16(14)20/h1-3,5-7,9-11,13,24H,4,8,12H2,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086700 (CHEMBL3426321) Show SMILES OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCS3(=O)=O Show InChI InChI=1S/C24H21NO5S/c26-24(27)23-19(18-9-4-12-21-22(18)25(23)13-15-31(21,28)29)10-5-14-30-20-11-3-7-16-6-1-2-8-17(16)20/h1-4,6-9,11-12H,5,10,13-15H2,(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086689 (CHEMBL3426330) Show SMILES Cc1cc(OCCCc2c(C(O)=O)n3CCCc4cccc2c34)cc(C)c1Cl Show InChI InChI=1S/C23H24ClNO3/c1-14-12-17(13-15(2)20(14)24)28-11-5-9-19-18-8-3-6-16-7-4-10-25(21(16)18)22(19)23(26)27/h3,6,8,12-13H,4-5,7,9-11H2,1-2H3,(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086699 (CHEMBL3426320) Show SMILES OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3OCCn1c23 Show InChI InChI=1S/C24H21NO4/c26-24(27)23-19(18-9-4-12-21-22(18)25(23)13-15-29-21)10-5-14-28-20-11-3-7-16-6-1-2-8-17(16)20/h1-4,6-9,11-12H,5,10,13-15H2,(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424725 (CHEMBL2314177 | US10093640, Example 5 | US10844032...) Show SMILES OC(=O)c1sc2cc(Cl)ccc2c1CCCOc1cccc2ccccc12 Show InChI InChI=1S/C22H17ClO3S/c23-15-10-11-17-18(21(22(24)25)27-20(17)13-15)8-4-12-26-19-9-3-6-14-5-1-2-7-16(14)19/h1-3,5-7,9-11,13H,4,8,12H2,(H,24,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086697 (CHEMBL3425519) Show SMILES OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3SCCn1c23 Show InChI InChI=1S/C24H21NO3S/c26-24(27)23-19(18-9-4-12-21-22(18)25(23)13-15-29-21)10-5-14-28-20-11-3-7-16-6-1-2-8-17(16)20/h1-4,6-9,11-12H,5,10,13-15H2,(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424749 (CHEMBL2314171 | US11760752, Compound Fesik Indole) Show SMILES Cc1cc(OCCCc2c(C(O)=O)n(C)c3cc(Cl)ccc23)cc(C)c1Cl Show InChI InChI=1S/C21H21Cl2NO3/c1-12-9-15(10-13(2)19(12)23)27-8-4-5-17-16-7-6-14(22)11-18(16)24(3)20(17)21(25)26/h6-7,9-11H,4-5,8H2,1-3H3,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086704 (CHEMBL3426325) Show SMILES OC(=O)c1c(CCCOc2cccc3CCCCc23)c2cccc3SCCn1c23 Show InChI InChI=1S/C24H25NO3S/c26-24(27)23-19(18-9-4-12-21-22(18)25(23)13-15-29-21)10-5-14-28-20-11-3-7-16-6-1-2-8-17(16)20/h3-4,7,9,11-12H,1-2,5-6,8,10,13-15H2,(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424752 (CHEMBL2314206) Show SMILES Cc1cc(OCCCc2c([nH]c3cccc(Cl)c23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C20H19Cl2NO3/c1-11-9-13(10-12(2)18(11)22)26-8-4-5-14-17-15(21)6-3-7-16(17)23-19(14)20(24)25/h3,6-7,9-10,23H,4-5,8H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086701 (CHEMBL3426322) Show SMILES OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3SCCCn1c23 Show InChI InChI=1S/C25H23NO3S/c27-25(28)24-20(19-10-4-13-22-23(19)26(24)14-6-16-30-22)11-5-15-29-21-12-3-8-17-7-1-2-9-18(17)21/h1-4,7-10,12-13H,5-6,11,14-16H2,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424730 (CHEMBL2314503) Show SMILES Cc1cc(OCCCc2c(C(O)=O)n(C)c3ccccc23)cc(C)c1Cl Show InChI InChI=1S/C21H22ClNO3/c1-13-11-15(12-14(2)19(13)22)26-10-6-8-17-16-7-4-5-9-18(16)23(3)20(17)21(24)25/h4-5,7,9,11-12H,6,8,10H2,1-3H3,(H,24,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424733 (CHEMBL2314208) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(O)=O)ccc1Cl Show InChI InChI=1S/C19H17Cl2NO3/c1-11-9-13(5-7-16(11)21)25-8-2-3-15-14-6-4-12(20)10-17(14)22-18(15)19(23)24/h4-7,9-10,22H,2-3,8H2,1H3,(H,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086705 (CHEMBL3426326) Show SMILES OC(=O)c1c(CCCOc2ccc(Cl)c3ccccc23)c2cccc3SCCn1c23 Show InChI InChI=1S/C24H20ClNO3S/c25-19-10-11-20(16-6-2-1-5-15(16)19)29-13-4-8-18-17-7-3-9-21-22(17)26(12-14-30-21)23(18)24(27)28/h1-3,5-7,9-11H,4,8,12-14H2,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086687 (CHEMBL3426328) Show SMILES Cc1cc(OCCCc2c(C(O)=O)n3CCSc4cccc2c34)ccc1Cl Show InChI InChI=1S/C21H20ClNO3S/c1-13-12-14(7-8-17(13)22)26-10-3-5-16-15-4-2-6-18-19(15)23(9-11-27-18)20(16)21(24)25/h2,4,6-8,12H,3,5,9-11H2,1H3,(H,24,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424726 (CHEMBL2314176 | US10093640, Example 6 | US10844032...) Show SMILES Cc1cc(OCCCc2c(sc3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C20H18Cl2O3S/c1-11-8-14(9-12(2)18(11)22)25-7-3-4-16-15-6-5-13(21)10-17(15)26-19(16)20(23)24/h5-6,8-10H,3-4,7H2,1-2H3,(H,23,24)	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
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424729 (CHEMBL2314504) Show SMILES Cn1c(C(O)=O)c(CCCOc2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H21NO3/c1-24-20-13-5-4-11-18(20)19(22(24)23(25)26)12-7-15-27-21-14-6-9-16-8-2-3-10-17(16)21/h2-6,8-11,13-14H,7,12,15H2,1H3,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424728 (CHEMBL2314172) Show SMILES OC(=O)c1c(CCCOc2cccc3ccccc23)c2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C29H25NO3/c31-29(32)28-25(16-9-19-33-27-18-8-13-22-12-4-5-14-23(22)27)24-15-6-7-17-26(24)30(28)20-21-10-2-1-3-11-21/h1-8,10-15,17-18H,9,16,19-20H2,(H,31,32)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424757 (CHEMBL2314201) Show SMILES OC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2CCCCc12 Show InChI InChI=1S/C22H23NO3/c24-22(25)21-18(17-10-3-4-12-19(17)23-21)11-6-14-26-20-13-5-8-15-7-1-2-9-16(15)20/h3-5,8,10,12-13,23H,1-2,6-7,9,11,14H2,(H,24,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424735 (CHEMBL2314193) Show SMILES Cc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C20H20ClNO3/c1-12-10-14(11-13(2)18(12)21)25-9-5-7-16-15-6-3-4-8-17(15)22-19(16)20(23)24/h3-4,6,8,10-11,22H,5,7,9H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086698 (CHEMBL3426319) Show SMILES OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3CCCn1c23 Show InChI InChI=1S/C25H23NO3/c27-25(28)24-21(20-12-3-9-18-10-5-15-26(24)23(18)20)13-6-16-29-22-14-4-8-17-7-1-2-11-19(17)22/h1-4,7-9,11-12,14H,5-6,10,13,15-16H2,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424727 (CHEMBL2314173 | US10093640, Example 2 | US10844032...) Show SMILES Cc1cc(OCCCc2c(sc3ccccc23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C20H19ClO3S/c1-12-10-14(11-13(2)18(12)21)24-9-5-7-16-15-6-3-4-8-17(15)25-19(16)20(22)23/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424734 (CHEMBL2314198) Show SMILES OC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2ccccc12 Show InChI InChI=1S/C22H19NO3/c24-22(25)21-18(17-10-3-4-12-19(17)23-21)11-6-14-26-20-13-5-8-15-7-1-2-9-16(15)20/h1-5,7-10,12-13,23H,6,11,14H2,(H,24,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424738 (CHEMBL2314516 | US10093640, Example 1 | US10844032...) Show SMILES OC(=O)c1sc2ccccc2c1CCCOc1cccc2ccccc12 Show InChI InChI=1S/C22H18O3S/c23-22(24)21-18(17-10-3-4-13-20(17)26-21)11-6-14-25-19-12-5-8-15-7-1-2-9-16(15)19/h1-5,7-10,12-13H,6,11,14H2,(H,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424736 (CHEMBL2314191) Show SMILES Cc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)ccc1Cl Show InChI InChI=1S/C19H18ClNO3/c1-12-11-13(8-9-16(12)20)24-10-4-6-15-14-5-2-3-7-17(14)21-18(15)19(22)23/h2-3,5,7-9,11,21H,4,6,10H2,1H3,(H,22,23)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50086686 (CHEMBL3426327) Show SMILES OC(=O)c1c(CCCOc2ccc3CCCCc3c2)c2cccc3SCCn1c23 Show InChI InChI=1S/C24H25NO3S/c26-24(27)23-20(19-7-3-9-21-22(19)25(23)12-14-29-21)8-4-13-28-18-11-10-16-5-1-2-6-17(16)15-18/h3,7,9-11,15H,1-2,4-6,8,12-14H2,(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD 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
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424741 (CHEMBL2314183) Show SMILES Cc1cc(OCCCn2c(cc3ccccc23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C20H20ClNO3/c1-13-10-16(11-14(2)19(13)21)25-9-5-8-22-17-7-4-3-6-15(17)12-18(22)20(23)24/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD 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
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424740 (CHEMBL2314184) Show SMILES OC(=O)c1cc2ccccc2n1CCCOc1cccc2ccccc12 Show InChI InChI=1S/C22H19NO3/c24-22(25)20-15-17-8-2-4-11-19(17)23(20)13-6-14-26-21-12-5-9-16-7-1-3-10-18(16)21/h1-5,7-12,15H,6,13-14H2,(H,24,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD 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
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424758 (CHEMBL2314200) Show SMILES OC(=O)c1[nH]c2ccccc2c1CCCOc1ccc(Cl)c2ccccc12 Show InChI InChI=1S/C22H18ClNO3/c23-18-11-12-20(16-8-2-1-6-14(16)18)27-13-5-9-17-15-7-3-4-10-19(15)24-21(17)22(25)26/h1-4,6-8,10-12,24H,5,9,13H2,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424751 (CHEMBL2314207) Show SMILES OC(=O)c1[nH]c2cccc(Cl)c2c1CCCOc1cccc2ccccc12 Show InChI InChI=1S/C22H18ClNO3/c23-17-10-4-11-18-20(17)16(21(24-18)22(25)26)9-5-13-27-19-12-3-7-14-6-1-2-8-15(14)19/h1-4,6-8,10-12,24H,5,9,13H2,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD 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
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424745 (CHEMBL2314179 | US10093640, Example 7 | US10844032...) Show SMILES OC(=O)c1sc2c(Cl)cccc2c1CCCOc1cccc2ccccc12 Show InChI InChI=1S/C22H17ClO3S/c23-18-11-4-9-16-17(21(22(24)25)27-20(16)18)10-5-13-26-19-12-3-7-14-6-1-2-8-15(14)19/h1-4,6-9,11-12H,5,10,13H2,(H,24,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD 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
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424746 (CHEMBL2314178 | US10093640, Example 8 | US10844032...) Show SMILES Cc1cc(OCCCc2c(sc3c(Cl)cccc23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C20H18Cl2O3S/c1-11-9-13(10-12(2)17(11)22)25-8-4-6-15-14-5-3-7-16(21)18(14)26-19(15)20(23)24/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD 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
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50086692 (CHEMBL3426333) Show SMILES Cc1cc(OCCCc2c(C(O)=O)n3CCCc4c(Cl)ccc2c34)cc(C)c1Cl Show InChI InChI=1S/C23H23Cl2NO3/c1-13-11-15(12-14(2)20(13)25)29-10-4-6-16-17-7-8-19(24)18-5-3-9-26(21(17)18)22(16)23(27)28/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Bcl-2 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50424726 (CHEMBL2314176 | US10093640, Example 6 | US10844032...) Show SMILES Cc1cc(OCCCc2c(sc3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C20H18Cl2O3S/c1-11-8-14(9-12(2)18(11)22)25-7-3-4-16-15-6-5-13(21)10-17(15)26-19(16)20(23)24/h5-6,8-10H,3-4,7H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt 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
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424753 (CHEMBL2314205) Show SMILES Cc1cc(OCCCc2c([nH]c3cccc(Cl)c23)C(O)=O)ccc1Cl Show InChI InChI=1S/C19H17Cl2NO3/c1-11-10-12(7-8-14(11)20)25-9-3-4-13-17-15(21)5-2-6-16(17)22-18(13)19(23)24/h2,5-8,10,22H,3-4,9H2,1H3,(H,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50424732 (CHEMBL2314209) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C20H19Cl2NO3/c1-11-8-14(9-12(2)18(11)22)26-7-3-4-16-15-6-5-13(21)10-17(15)23-19(16)20(24)25/h5-6,8-10,23H,3-4,7H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50424725 (CHEMBL2314177 | US10093640, Example 5 | US10844032...) Show SMILES OC(=O)c1sc2cc(Cl)ccc2c1CCCOc1cccc2ccccc12 Show InChI InChI=1S/C22H17ClO3S/c23-15-10-11-17-18(21(22(24)25)27-20(17)13-15)8-4-12-26-19-9-3-6-14-5-1-2-7-16(14)19/h1-3,5-7,9-11,13H,4,8,12H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50424731 (CHEMBL2314210) Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12 Show InChI InChI=1S/C22H18ClNO3/c23-15-10-11-17-18(21(22(25)26)24-19(17)13-15)8-4-12-27-20-9-3-6-14-5-1-2-7-16(14)20/h1-3,5-7,9-11,13,24H,4,8,12H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424737 (CHEMBL2314519 | US10093640, Example 21 | US1084403...) Show SMILES OC(=O)c1oc2ccccc2c1CCCOc1cccc2ccccc12 Show InChI InChI=1S/C22H18O4/c23-22(24)21-18(17-10-3-4-12-20(17)26-21)11-6-14-25-19-13-5-8-15-7-1-2-9-16(15)19/h1-5,7-10,12-13H,6,11,14H2,(H,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424764 (CHEMBL2314192) Show SMILES CCc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)ccc1Cl Show InChI InChI=1S/C20H20ClNO3/c1-2-13-12-14(9-10-17(13)21)25-11-5-7-16-15-6-3-4-8-18(15)22-19(16)20(23)24/h3-4,6,8-10,12,22H,2,5,7,11H2,1H3,(H,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50086705 (CHEMBL3426326) Show SMILES OC(=O)c1c(CCCOc2ccc(Cl)c3ccccc23)c2cccc3SCCn1c23 Show InChI InChI=1S/C24H20ClNO3S/c25-19-10-11-20(16-6-2-1-5-15(16)19)29-13-4-8-18-17-7-3-9-21-22(17)26(12-14-30-21)23(18)24(27)28/h1-3,5-7,9-11H,4,8,12-14H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Bcl-2 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
					More data for this Ligand-Target Pair

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