Compile Data Set for Download or QSAR

Found 588 hits with Last Name = 'chauder' and Initial = 'ba'   

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))	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))	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))	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 [172-327] (Homo sapiens (Human))	BDBM38065 (4-chloro-3-(3-(4-chloro-3-methylphenoxy)propyl)-N-...) Show SMILES Cc1cc(OCCCc2c([nH]c3cccc(Cl)c23)C(=O)NS(C)(=O)=O)ccc1Cl Show InChI InChI=1S/C19H15N3O4S/c1-2-25-17-13(6-5-9-20-17)18(24)26-11-12-10-16(23)22-14-7-3-4-8-15(14)27-19(22)21-12/h3-10H,2,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM289084 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3-((...) Show SMILES CN(C)CCOCc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(13.4,-2.38,;12.25,-1.35,;12.57,.15,;10.79,-1.83,;9.64,-.8,;8.18,-1.28,;7.03,-.24,;5.57,-.72,;5.09,-2.19,;3.55,-2.19,;2.65,-3.43,;3.08,-.72,;1.61,-.24,;4.32,.18,;4.32,1.72,;5.66,2.49,;5.66,4.03,;4.32,4.8,;2.99,4.03,;1.53,4.51,;1.05,5.97,;-.46,6.29,;-.93,7.76,;-2.44,8.08,;-3.47,6.94,;-2.99,5.47,;-4.02,4.33,;-3.55,2.86,;-5.53,4.65,;-6.56,3.5,;-6.01,6.11,;-7.51,6.43,;-4.98,7.26,;.62,3.26,;1.53,2.02,;2.99,2.49,;-.92,3.26,;-1.69,4.6,;-1.69,1.93,;-.92,.6,;.41,1.37,;-.15,-.74,;-2.25,-.17,;-2.25,-1.71,;-3.59,-2.48,;-4.92,-1.71,;-4.92,-.17,;-3.59,.6,)| Show InChI InChI=1S/C36H42ClN5O5S/c1-23-20-26(21-24(2)33(23)37)47-18-11-16-29-28-14-10-15-30(32-25(3)42(6)39-31(32)22-46-19-17-41(4)5)34(28)38-35(29)36(43)40-48(44,45)27-12-8-7-9-13-27/h7-10,12-15,20-21,38H,11,16-19,22H2,1-6H3,(H,40,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM289083 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(1,5-...) Show SMILES Cc1c(c(COc2cccnc2)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(7.76,-1.79,;6.3,-2.27,;5.05,-1.36,;3.81,-2.27,;2.34,-1.79,;1.2,-2.82,;1.52,-4.33,;2.98,-4.8,;3.3,-6.31,;2.16,-7.34,;.69,-6.87,;.37,-5.36,;4.28,-3.73,;5.82,-3.73,;6.73,-4.98,;5.05,.18,;6.39,.95,;6.39,2.49,;5.05,3.26,;3.72,2.49,;2.26,2.96,;1.78,4.43,;.27,4.75,;-.2,6.21,;-1.71,6.53,;-2.19,8,;-3.69,8.32,;-4.17,9.78,;-5.67,10.1,;-3.14,10.93,;-3.61,12.39,;-1.63,10.61,;-.6,11.75,;-1.15,9.14,;1.35,1.72,;2.26,.47,;3.72,.95,;-.19,1.72,;-.96,3.05,;-.96,.38,;-2.5,.38,;-2.5,1.92,;-2.5,-1.16,;-4.04,.38,;-4.81,-.95,;-6.35,-.95,;-7.12,.38,;-6.35,1.72,;-4.81,1.72,)| Show InChI InChI=1S/C37H36ClN5O5S/c1-23-19-27(20-24(2)34(23)38)47-18-10-16-30-29-14-8-15-31(33-25(3)43(4)41-32(33)22-48-26-11-9-17-39-21-26)35(29)40-36(30)37(44)42-49(45,46)28-12-6-5-7-13-28/h5-9,11-15,17,19-21,40H,10,16,18,22H2,1-4H3,(H,42,44)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM289082 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(1,5-...) Show SMILES Cc1c(c(COc2ccccn2)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(7.76,-1.79,;6.3,-2.27,;5.05,-1.36,;3.81,-2.27,;2.34,-1.79,;1.2,-2.82,;1.52,-4.33,;2.98,-4.8,;3.3,-6.31,;2.16,-7.34,;.69,-6.87,;.37,-5.36,;4.28,-3.73,;5.82,-3.73,;6.73,-4.98,;5.05,.18,;6.39,.95,;6.39,2.49,;5.05,3.26,;3.72,2.49,;2.26,2.96,;1.78,4.43,;.27,4.75,;-.2,6.21,;-1.71,6.53,;-2.19,8,;-3.69,8.32,;-4.17,9.78,;-5.67,10.1,;-3.14,10.93,;-3.61,12.39,;-1.63,10.61,;-.6,11.75,;-1.15,9.14,;1.35,1.72,;2.26,.47,;3.72,.95,;-.19,1.72,;-.96,3.05,;-.96,.38,;-2.5,.38,;-2.5,1.92,;-2.5,-1.16,;-4.04,.38,;-4.81,-.95,;-6.35,-.95,;-7.12,.38,;-6.35,1.72,;-4.81,1.72,)| Show InChI InChI=1S/C37H36ClN5O5S/c1-23-20-26(21-24(2)34(23)38)47-19-11-16-29-28-14-10-15-30(33-25(3)43(4)41-31(33)22-48-32-17-8-9-18-39-32)35(28)40-36(29)37(44)42-49(45,46)27-12-6-5-7-13-27/h5-10,12-15,17-18,20-21,40H,11,16,19,22H2,1-4H3,(H,42,44)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM50160010 (CHEMBL3786147 | US10093640, Example 305 | US108440...) Show SMILES Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;8.78,2.77,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,)| Show InChI InChI=1S/C31H31ClN4O4S/c1-18-16-22(17-19(2)28(18)32)40-15-9-14-25-24-12-8-13-26(27-20(3)34-35-21(27)4)29(24)33-30(25)31(37)36-41(38,39)23-10-6-5-7-11-23/h5-8,10-13,16-17,33H,9,14-15H2,1-4H3,(H,34,35)(H,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM289080 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(1-is...) Show SMILES CC(C)n1nccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H33ClN4O4S/c1-20(2)37-28(15-16-34-37)27-13-8-12-25-26(14-9-17-41-23-18-21(3)29(33)22(4)19-23)31(35-30(25)27)32(38)36-42(39,40)24-10-6-5-7-11-24/h5-8,10-13,15-16,18-20,35H,9,14,17H2,1-4H3,(H,36,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38066 (4-chloro-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl...) Show SMILES Cc1cc(OCCCc2c([nH]c3cccc(Cl)c23)C(=O)NS(C)(=O)=O)cc(C)c1Cl Show InChI InChI=1S/C14H13N3O3S/c18-11(16-14-15-6-8-21-14)5-7-17-12(19)9-3-1-2-4-10(9)13(17)20/h1-4H,5-8H2,(H,15,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38101 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3,5-...) Show SMILES Cc1noc(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-1.45,-6.66,;-2.78,-7.43,;-3.26,-8.9,;-4.8,-8.9,;-5.27,-7.43,;-6.61,-6.66,;-4.03,-6.53,;-4.03,-4.99,;-5.36,-4.22,;-5.36,-2.68,;-4.03,-1.91,;-2.69,-2.68,;-1.23,-2.2,;-.83,-.72,;-1.92,.37,;-1.52,1.86,;-2.61,2.95,;-2.21,4.44,;-3.3,5.53,;-2.9,7.01,;-3.99,8.1,;-1.41,7.41,;-1.02,8.9,;-.32,6.32,;1.16,6.72,;-.72,4.84,;-.32,-3.45,;-1.23,-4.7,;-2.69,-4.22,;1.22,-3.45,;1.99,-2.12,;1.99,-4.78,;3.53,-4.78,;4.3,-3.45,;3.53,-3.24,;4.3,-6.12,;3.53,-7.45,;4.3,-8.78,;5.84,-8.78,;6.61,-7.45,;5.84,-6.12,)| Show InChI InChI=1S/C22H30N4O2/c1-2-19-11-6-7-15-25(19)16-8-14-23-21(27)17-26-22(28)13-12-20(24-26)18-9-4-3-5-10-18/h3-5,9-10,12-13,19H,2,6-8,11,14-17H2,1H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM50160000 (CHEMBL3786018 | US10093640, Example 89 | US1084403...) Show SMILES Cc1ccncc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H30ClN3O4S/c1-20-14-15-34-19-28(20)27-12-7-11-25-26(13-8-16-40-23-17-21(2)29(33)22(3)18-23)31(35-30(25)27)32(37)36-41(38,39)24-9-5-4-6-10-24/h4-7,9-12,14-15,17-19,35H,8,13,16H2,1-3H3,(H,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38103 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(4-me...) Show SMILES COc1ccncc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H20N2O3S/c1-8-7-20-12(15-8)16-10(17)9-5-6-14(4,11(18)19)13(9,2)3/h7,9H,5-6H2,1-4H3,(H,18,19)(H,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38104 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-N-(phen...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccnc3ccccc23)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C24H21ClN4O4S/c1-13-8-9-20(14(2)10-13)29-23(17-11-34(31,32)12-19(17)27-29)26-24(30)21-15(3)33-28-22(21)16-6-4-5-7-18(16)25/h4-10H,11-12H2,1-3H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38109 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(2-me...) Show SMILES Cc1sccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H27N3O3/c1-3-26-20(25)23-12-10-16(11-13-23)21-19(24)9-8-15-14-22(2)18-7-5-4-6-17(15)18/h4-7,14,16H,3,8-13H2,1-2H3,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38110 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3-me...) Show SMILES Cc1ccsc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H24N2O3S/c1-2-22(20,21)18-12-9-15(10-13-18)16(19)17-11-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38112 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(1-me...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccnn2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C17H30N4O5S/c1-2-26-17(23)19-13-11-18(12-14-19)16(22)15-5-9-21(10-6-15)27(24,25)20-7-3-4-8-20/h15H,2-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38114 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(1-me...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cccn2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C19H21ClN4O4/c1-2-28-19(27)23-11-9-22(10-12-23)18(26)13-24-17(25)8-7-16(21-24)14-3-5-15(20)6-4-14/h3-8H,2,9-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38115 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-N-(phen...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ncccc2C(F)(F)F)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C19H39N3O4S/c1-6-26-13-7-10-20-19(23)18-8-11-21(12-9-18)27(24,25)22(14-16(2)3)15-17(4)5/h16-18H,6-15H2,1-5H3,(H,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38119 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-N-(phen...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cnccc2C(F)(F)F)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C23H26N4O5/c1-5-21-25-27(23(29)17-13-19-16(26(17)21)9-11-32-19)14(2)22(28)24-10-8-15-6-7-18(30-3)20(12-15)31-4/h6-7,9,11-14H,5,8,10H2,1-4H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38120 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-N-(phen...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccncc2C(F)(F)F)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C22H21N3O3S2/c1-5-25-20(27)19(21-24(3)17-12-16(28-4)10-11-18(17)29-21)30-22(25)23-15-8-6-14(7-9-15)13(2)26/h6-12H,5H2,1-4H3/b21-19-,23-22?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38131 (4-bromo-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)...) Show SMILES Cc1cc(OCCCc2c([nH]c3cccc(Br)c23)C(=O)NS(C)(=O)=O)cc(C)c1Cl Show InChI InChI=1S/C17H18ClNO4S/c18-14-5-3-13(4-6-14)11-24(21,22)12-15-7-8-16(23-15)17(20)19-9-1-2-10-19/h3-8H,1-2,9-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38134 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-4-methy...) Show SMILES Cc1cc(OCCCc2c([nH]c3cccc(C)c23)C(=O)NS(C)(=O)=O)cc(C)c1Cl Show InChI InChI=1S/C21H21N7O2/c1-25-17-6-3-2-5-15(17)16-13-24-28(20(30)19(16)25)14-18(29)26-9-11-27(12-10-26)21-22-7-4-8-23-21/h2-8,13H,9-12,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38141 (6-chloro-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(-c4cnn(C)c4)c(Cl)ccc23)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C14H13F3N4O6S/c1-25-10-7-11(26-2)19-12(18-10)20-13(22)21-28(23,24)9-5-3-8(4-6-9)27-14(15,16)17/h3-7H,1-2H3,(H2,18,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38143 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(1-me...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cnn(C)c2)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C15H21ClN2O3S/c1-22(20,21)18-10-2-3-13(11-18)15(19)17-9-8-12-4-6-14(16)7-5-12/h4-7,13H,2-3,8-11H2,1H3,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38144 (7-(3-((4-(4-acetylpiperazin-1-yl)phenoxy)methyl)-1...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)NS(=O)(=O)c4ccccc4)n(Cc4cccnc4)c23)cc1 |(-13.75,-5.07,;-12.66,-3.98,;-13.06,-2.49,;-11.17,-4.38,;-10.08,-3.29,;-8.6,-3.69,;-8.2,-5.17,;-9.29,-6.26,;-10.77,-5.86,;-6.71,-5.57,;-5.62,-4.48,;-4.13,-4.88,;-3.73,-6.37,;-2.25,-6.77,;-1.16,-5.68,;.33,-6.08,;.81,-7.54,;2.35,-7.54,;3.12,-8.88,;2.82,-6.08,;4.15,-5.31,;1.58,-5.17,;1.58,-3.63,;.24,-2.86,;.24,-1.32,;1.58,-.55,;2.91,-1.32,;4.37,-.85,;4.77,.64,;6.26,1.04,;6.66,2.53,;8.15,2.93,;8.54,4.41,;7.46,5.5,;7.85,6.99,;6.76,8.08,;9.34,7.39,;9.74,8.88,;10.43,6.3,;11.92,6.7,;10.03,4.81,;5.28,-2.09,;6.82,-2.09,;7.59,-.76,;7.59,-3.43,;9.13,-3.43,;9.13,-4.97,;9.13,-1.89,;10.67,-3.43,;11.44,-4.76,;12.98,-4.76,;13.75,-3.43,;12.98,-2.09,;11.44,-2.09,;4.37,-3.34,;4.77,-4.83,;6.26,-5.22,;5.86,-6.71,;6.95,-7.8,;8.44,-7.4,;8.84,-5.91,;7.75,-4.83,;2.91,-2.86,;-4.82,-7.46,;-6.31,-7.06,)| Show InChI InChI=1S/C14H21N3O3/c1-11(2)10-20-14(19)17-9-6-12(15-17)13(18)16-7-4-3-5-8-16/h6,9,11H,3-5,7-8,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38147 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3-(h...) Show SMILES Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-1.6,-5.31,;-2.93,-6.08,;-4.18,-5.17,;-5.42,-6.08,;-6.91,-5.68,;-8,-6.77,;-4.95,-7.54,;-3.41,-7.54,;-2.64,-8.88,;-4.18,-3.63,;-5.51,-2.86,;-5.51,-1.32,;-4.18,-.55,;-2.84,-1.32,;-1.38,-.85,;-.98,.64,;.51,1.04,;.91,2.53,;2.39,2.93,;2.79,4.41,;1.7,5.5,;2.1,6.99,;1.01,8.08,;3.59,7.39,;3.99,8.88,;4.68,6.3,;6.17,6.7,;4.28,4.81,;-.47,-2.09,;-1.38,-3.34,;-2.84,-2.86,;1.07,-2.09,;1.84,-.76,;1.84,-3.43,;3.38,-3.43,;3.38,-4.97,;3.38,-1.89,;4.92,-3.43,;5.69,-4.76,;7.23,-4.76,;8,-3.43,;7.23,-2.09,;5.69,-2.09,)| Show InChI InChI=1S/C18H19N3O2S/c22-17(19-11-14-6-4-10-24-14)13-5-3-9-21(12-13)18-20-15-7-1-2-8-16(15)23-18/h1-2,4,6-8,10,13H,3,5,9,11-12H2,(H,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM38150 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3-(m...) Show SMILES COCc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-8.74,-6.37,;-7.25,-6.77,;-6.17,-5.68,;-4.68,-6.08,;-4.2,-7.54,;-2.66,-7.54,;-1.89,-8.88,;-2.19,-6.08,;-.85,-5.31,;-3.43,-5.17,;-3.43,-3.63,;-4.77,-2.86,;-4.77,-1.32,;-3.43,-.55,;-2.1,-1.32,;-.63,-.85,;-.23,.64,;1.25,1.04,;1.65,2.53,;3.14,2.93,;3.54,4.41,;2.45,5.5,;2.85,6.99,;1.76,8.08,;4.33,7.39,;4.73,8.88,;5.42,6.3,;6.91,6.7,;5.02,4.81,;.27,-2.09,;-.63,-3.34,;-2.1,-2.86,;1.81,-2.09,;2.58,-.76,;2.58,-3.43,;4.12,-3.43,;4.12,-4.97,;4.12,-1.89,;5.66,-3.43,;6.43,-4.76,;7.97,-4.76,;8.74,-3.43,;7.97,-2.09,;6.43,-2.09,)| Show InChI InChI=1S/C21H23N5O3S/c1-14-22-21-26(23-14)20(27)19(30-21)18(17-4-3-13-29-17)25-11-9-24(10-12-25)15-5-7-16(28-2)8-6-15/h3-8,13,18,27H,9-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM50159994 (CHEMBL3786996 | US10844032, Example 170) Show SMILES Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccn2C)cc(C)c1Cl Show InChI InChI=1S/C28H31ClN4O5S/c1-18-16-20(17-19(2)25(18)29)38-14-7-9-22-21-8-4-5-10-23(21)31-26(22)28(35)32-39(36,37)15-12-30-27(34)24-11-6-13-33(24)3/h4-6,8,10-11,13,16-17,31H,7,9,12,14-15H2,1-3H3,(H,30,34)(H,32,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM286515 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3-(h...) Show SMILES Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(C)c1 |(-1.46,-5.28,;-2.83,-6.07,;-4.12,-5.14,;-5.4,-6.07,;-6.77,-5.28,;-8.15,-6.07,;-4.91,-7.58,;-3.32,-7.58,;-2.53,-8.95,;-4.12,-3.55,;-5.45,-2.78,;-5.45,-1.24,;-4.12,-.47,;-2.78,-1.24,;-1.32,-.77,;-.92,.72,;.57,1.12,;.97,2.6,;2.45,3,;2.85,4.49,;1.76,5.58,;2.16,7.07,;1.07,8.16,;3.65,7.47,;4.05,8.95,;4.74,6.38,;6.22,6.77,;4.34,4.89,;-.41,-2.01,;-1.32,-3.26,;-2.78,-2.78,;1.13,-2.01,;1.9,-3.35,;1.9,-.68,;3.44,-.68,;3.44,-2.22,;3.44,.86,;4.98,-.68,;5.77,.69,;7.35,.69,;8.15,-.68,;7.35,-2.05,;8.15,-3.43,;5.77,-2.05,)| Show InChI InChI=1S/C33H35ClN4O5S/c1-19-9-6-10-24(15-19)44(41,42)37-33(40)32-26(13-8-14-43-23-16-20(2)30(34)21(3)17-23)25-11-7-12-27(31(25)35-32)29-22(4)38(5)36-28(29)18-39/h6-7,9-12,15-17,35,39H,8,13-14,18H2,1-5H3,(H,37,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM286516 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-N-((2-(...) Show SMILES Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)CCNC(=O)C1CCCCC1 |(-5.76,-3.86,;-7.34,-3.86,;-7.99,-2.41,;-9.56,-2.58,;-10.36,-1.21,;-10.36,.38,;-9.89,-4.13,;-8.52,-4.92,;-8.52,-6.51,;-7.19,-1.04,;-7.96,.29,;-7.19,1.63,;-5.65,1.63,;-4.88,.29,;-3.38,-.03,;-2.29,1.06,;-.8,.66,;.29,1.75,;1.78,1.35,;2.86,2.44,;2.47,3.93,;3.55,5.02,;3.16,6.51,;5.04,4.62,;6.13,5.71,;5.44,3.13,;6.93,2.74,;4.35,2.04,;-3.22,-1.56,;-4.62,-2.18,;-5.65,-1.04,;-1.88,-2.33,;-1.88,-3.87,;-.55,-1.56,;.78,-2.33,;.01,-3.66,;1.55,-.99,;2.12,-3.1,;3.49,-2.3,;4.86,-3.1,;6.24,-2.3,;6.24,-.72,;7.61,-3.1,;7.61,-4.68,;8.98,-5.48,;10.36,-4.68,;10.36,-3.1,;8.98,-2.3,)| Show InChI InChI=1S/C35H44ClN5O6S/c1-21-18-25(19-22(2)31(21)36)47-16-9-14-27-26-12-8-13-28(30-23(3)41(4)39-29(30)20-42)32(26)38-33(27)35(44)40-48(45,46)17-15-37-34(43)24-10-6-5-7-11-24/h8,12-13,18-19,24,38,42H,5-7,9-11,14-17,20H2,1-4H3,(H,37,43)(H,40,44)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM286517 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3-(h...) Show SMILES Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)CCNC(=O)c1cccn1C |(-5.49,-1.35,;-7.02,-.94,;-7.27,.63,;-8.84,.87,;-9.25,2.41,;-8.16,3.49,;-9.56,-.54,;-8.43,-1.66,;-8.85,-3.19,;-6.15,1.75,;-6.55,3.23,;-5.46,4.32,;-3.97,3.92,;-3.57,2.44,;-2.2,1.74,;-.87,2.51,;.47,1.74,;1.8,2.51,;3.13,1.74,;4.47,2.51,;4.47,4.05,;5.8,4.82,;5.8,6.36,;7.14,4.05,;8.47,4.82,;7.14,2.51,;8.47,1.74,;5.8,1.74,;-2.44,.22,;-3.96,-.02,;-4.66,1.35,;-1.35,-.87,;-1.75,-2.36,;.14,-.47,;1.22,-1.56,;.14,-2.65,;2.31,-.47,;2.31,-2.65,;3.8,-2.25,;4.89,-3.34,;6.38,-2.94,;6.78,-1.46,;7.47,-4.03,;9,-3.95,;9.56,-5.39,;8.36,-6.36,;7.07,-5.52,;5.58,-5.92,)| Show InChI InChI=1S/C34H39ClN6O6S/c1-20-17-23(18-21(2)30(20)35)47-15-8-11-25-24-9-6-10-26(29-22(3)41(5)38-27(29)19-42)31(24)37-32(25)34(44)39-48(45,46)16-13-36-33(43)28-12-7-14-40(28)4/h6-7,9-10,12,14,17-18,37,42H,8,11,13,15-16,19H2,1-5H3,(H,36,43)(H,39,44)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM473418 (Preparation of N-((2-(1-benzyl-1H-pyrrole-2-carbox...) Show SMILES Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)CCNC(=O)c1cccn1Cc1ccccc1 |(-5.51,-2.09,;-7.02,-1.77,;-7.65,-.36,;-9.18,-.52,;-10.21,.62,;-10.21,2.16,;-9.5,-2.03,;-8.16,-2.8,;-8,-4.33,;-6.88,.97,;-7.65,2.31,;-6.88,3.64,;-5.34,3.64,;-4.57,2.31,;-3.06,1.99,;-1.92,3.02,;-.45,2.54,;.69,3.57,;2.16,3.09,;3.3,4.12,;2.98,5.63,;4.13,6.66,;3.81,8.17,;5.59,6.19,;6.74,7.22,;5.91,4.68,;7.38,4.2,;4.77,3.65,;-2.9,.45,;-4.31,-.17,;-5.34,.97,;-1.57,-.32,;-1.57,-1.86,;-.23,.45,;1.1,-.32,;1.87,1.02,;.33,-1.65,;2.44,-1.09,;3.77,-.32,;5.1,-1.09,;6.44,-.32,;6.44,1.22,;7.77,-1.09,;9.18,-.46,;10.21,-1.6,;9.44,-2.94,;7.93,-2.62,;6.79,-3.65,;7.11,-5.15,;5.96,-6.19,;6.28,-7.69,;7.75,-8.17,;8.89,-7.14,;8.57,-5.63,)| Show InChI InChI=1S/C40H43ClN6O6S/c1-25-21-29(22-26(2)36(25)41)53-19-10-15-31-30-13-8-14-32(35-27(3)46(4)44-33(35)24-48)37(30)43-38(31)40(50)45-54(51,52)20-17-42-39(49)34-16-9-18-47(34)23-28-11-6-5-7-12-28/h5-9,11-14,16,18,21-22,43,48H,10,15,17,19-20,23-24H2,1-4H3,(H,42,49)(H,45,50)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM50159949 (CHEMBL3787178 | US10093640, Example 216 | US108440...) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C26H24Cl2N2O4S/c1-16-13-19(14-17(2)24(16)28)34-12-6-9-22-21-11-10-18(27)15-23(21)29-25(22)26(31)30-35(32,33)20-7-4-3-5-8-20/h3-5,7-8,10-11,13-15,29H,6,9,12H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM50160018 (CHEMBL3785155 | US10093640, Example 226 | US108440...) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)C2CCCCC2)cc(C)c1Cl Show InChI InChI=1S/C29H35Cl2N3O5S/c1-18-15-22(16-19(2)26(18)31)39-13-6-9-24-23-11-10-21(30)17-25(23)33-27(24)29(36)34-40(37,38)14-12-32-28(35)20-7-4-3-5-8-20/h10-11,15-17,20,33H,3-9,12-14H2,1-2H3,(H,32,35)(H,34,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM289018 (6-chloro-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl...) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)CCc2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C31H33Cl2N3O5S/c1-20-17-24(18-21(2)29(20)33)41-15-6-9-26-25-12-11-23(32)19-27(25)35-30(26)31(38)36-42(39,40)16-14-34-28(37)13-10-22-7-4-3-5-8-22/h3-5,7-8,11-12,17-19,35H,6,9-10,13-16H2,1-2H3,(H,34,37)(H,36,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM50159933 (CHEMBL3786092 | US10093640, Example 232 | US108440...) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccco2)cc(C)c1Cl Show InChI InChI=1S/C27H27Cl2N3O6S/c1-16-13-19(14-17(2)24(16)29)37-10-3-5-21-20-8-7-18(28)15-22(20)31-25(21)27(34)32-39(35,36)12-9-30-26(33)23-6-4-11-38-23/h4,6-8,11,13-15,31H,3,5,9-10,12H2,1-2H3,(H,30,33)(H,32,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM289022 (6-chloro-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl...) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccn2C)cc(C)c1Cl Show InChI InChI=1S/C28H30Cl2N4O5S/c1-17-14-20(15-18(2)25(17)30)39-12-5-6-22-21-9-8-19(29)16-23(21)32-26(22)28(36)33-40(37,38)13-10-31-27(35)24-7-4-11-34(24)3/h4,7-9,11,14-16,32H,5-6,10,12-13H2,1-3H3,(H,31,35)(H,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM50159954 (CHEMBL3785998 | US10093640, Example 237 | US108440...) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)[C@@H]2Cc3ccccc3N2)cc(C)c1Cl |r| Show InChI InChI=1S/C31H32Cl2N4O5S/c1-18-14-22(15-19(2)28(18)33)42-12-5-7-24-23-10-9-21(32)17-26(23)36-29(24)31(39)37-43(40,41)13-11-34-30(38)27-16-20-6-3-4-8-25(20)35-27/h3-4,6,8-10,14-15,17,27,35-36H,5,7,11-13,16H2,1-2H3,(H,34,38)(H,37,39)/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM50159945 (CHEMBL3785666 | US10093640, Example 253 | US108440...) Show SMILES CC(C)C(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 Show InChI InChI=1S/C26H31Cl2N3O5S/c1-15(2)25(32)29-9-11-37(34,35)31-26(33)24-21(20-8-7-18(27)14-22(20)30-24)6-5-10-36-19-12-16(3)23(28)17(4)13-19/h7-8,12-15,30H,5-6,9-11H2,1-4H3,(H,29,32)(H,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM50159940 (CHEMBL3785228 | US10093640, Example 255 | US108440...) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccc(c2)C(F)(F)F)cc(C)c1Cl Show InChI InChI=1S/C30H28Cl2F3N3O5S/c1-17-13-22(14-18(2)26(17)32)43-11-4-7-24-23-9-8-21(31)16-25(23)37-27(24)29(40)38-44(41,42)12-10-36-28(39)19-5-3-6-20(15-19)30(33,34)35/h3,5-6,8-9,13-16,37H,4,7,10-12H2,1-2H3,(H,36,39)(H,38,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM289051 (-chloro-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)...) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccc(CO)o2)cc(C)c1Cl Show InChI InChI=1S/C25H24Cl2N2O6S/c1-14-10-18(11-15(2)23(14)27)34-9-3-4-20-19-7-5-16(26)12-21(19)28-24(20)25(31)29-36(32,33)22-8-6-17(13-30)35-22/h5-8,10-12,28,30H,3-4,9,13H2,1-2H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM289052 (5-(N-(6-chloro-3-(3-(4-chloro-3,5-dimethylphenoxy)...) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccc(o2)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C25H22Cl2N2O7S/c1-13-10-16(11-14(2)22(13)27)35-9-3-4-18-17-6-5-15(26)12-19(17)28-23(18)24(30)29-37(33,34)21-8-7-20(36-21)25(31)32/h5-8,10-12,28H,3-4,9H2,1-2H3,(H,29,30)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM289055 (US10093640, Example 264 | US10844032, Example 264 ...) Show SMILES COC(=O)c1cc(oc1C)S(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 Show InChI InChI=1S/C27H26Cl2N2O7S/c1-14-10-18(11-15(2)24(14)29)37-9-5-6-20-19-8-7-17(28)12-22(19)30-25(20)26(32)31-39(34,35)23-13-21(16(3)38-23)27(33)36-4/h7-8,10-13,30H,5-6,9H2,1-4H3,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM289058 (5-(N-(6-chloro-3-(3-(4-chloro-3,5-dimethylphenoxy)...) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccc(C(O)=O)n2C)cc(C)c1Cl Show InChI InChI=1S/C26H25Cl2N3O6S/c1-14-11-17(12-15(2)23(14)28)37-10-4-5-19-18-7-6-16(27)13-20(18)29-24(19)25(32)30-38(35,36)22-9-8-21(26(33)34)31(22)3/h6-9,11-13,29H,4-5,10H2,1-3H3,(H,30,32)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM289071 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-N-((2-(...) Show SMILES Cc1cc(C(=O)NCCS(=O)(=O)NC(=O)c2[nH]c3ccccc3c2CCCOc2cc(C)c(Cl)c(C)c2)c(C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C35H36ClFN4O5S/c1-21-18-27(19-22(2)32(21)36)46-16-7-9-29-28-8-5-6-10-31(28)39-33(29)35(43)40-47(44,45)17-15-38-34(42)30-20-23(3)41(24(30)4)26-13-11-25(37)12-14-26/h5-6,8,10-14,18-20,39H,7,9,15-17H2,1-4H3,(H,38,42)(H,40,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM289072 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(7-me...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cn3ccnc3cc2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C34H31ClN4O4S/c1-21-19-30-36-14-15-39(30)20-29(21)28-12-7-11-26-27(13-8-16-43-24-17-22(2)31(35)23(3)18-24)33(37-32(26)28)34(40)38-44(41,42)25-9-5-4-6-10-25/h4-7,9-12,14-15,17-20,37H,8,13,16H2,1-3H3,(H,38,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM289075 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(7-me...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cn3nnnc3cc2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C32H29ClN6O4S/c1-19-17-28-35-37-38-39(28)18-27(19)26-12-7-11-24-25(13-8-14-43-22-15-20(2)29(33)21(3)16-22)31(34-30(24)26)32(40)36-44(41,42)23-9-5-4-6-10-23/h4-7,9-12,15-18,34H,8,13-14H2,1-3H3,(H,36,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM289076 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(2-me...) Show SMILES COc1nccc(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-.09,-1.42,;.54,-2.83,;1.87,-3.6,;1.87,-5.14,;3.21,-5.91,;4.54,-5.14,;4.54,-3.6,;5.87,-2.83,;3.21,-2.83,;3.21,-1.29,;4.54,-.52,;4.54,1.02,;3.21,1.79,;1.87,1.02,;.41,1.5,;-.07,2.96,;.96,4.11,;.49,5.57,;1.52,6.72,;1.04,8.18,;-.47,8.5,;-.94,9.97,;-2.45,10.29,;.09,11.11,;-.39,12.57,;1.59,10.79,;2.63,11.93,;2.07,9.33,;-.5,.25,;.41,-.99,;1.87,-.52,;-2.04,.25,;-2.81,1.59,;-2.81,-1.08,;-2.04,-2.41,;-3.37,-3.18,;-.7,-1.64,;-1.27,-3.75,;.27,-3.75,;1.04,-5.08,;.27,-6.42,;-1.27,-6.42,;-2.04,-5.08,)| Show InChI InChI=1S/C33H32ClN3O5S/c1-20-15-16-35-33(41-4)28(20)27-13-8-12-25-26(14-9-17-42-23-18-21(2)29(34)22(3)19-23)31(36-30(25)27)32(38)37-43(39,40)24-10-6-5-7-11-24/h5-8,10-13,15-16,18-19,36H,9,14,17H2,1-4H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [172-327] (Homo sapiens (Human))	BDBM289078 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(1-et...) Show SMILES CCn1nccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H31ClN4O4S/c1-4-36-27(15-16-33-36)26-13-8-12-24-25(14-9-17-40-22-18-20(2)28(32)21(3)19-22)30(34-29(24)26)31(37)35-41(38,39)23-10-6-5-7-11-23/h5-8,10-13,15-16,18-19,34H,4,9,14,17H2,1-3H3,(H,35,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020) BindingDB Entry DOI: 10.7270/Q2959MNH
					More data for this Ligand-Target Pair

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