Compile Data Set for Download or QSAR
Found 64 of ic50 for UniProtKB: P97287
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380456(US9926306, ID 183-82 | US9926306, ID 187-79)
Show SMILES Cc1cs\c(=N/C2CC3CCC2C3)n1\N=C\c1cc(O)c(O)cc1O
Show InChI InChI=1S/C18H21N3O3S/c1-10-9-25-18(20-14-5-11-2-3-12(14)4-11)21(10)19-8-13-6-16(23)17(24)7-15(13)22/h6-9,11-12,14,22-24H,2-5H2,1H3/b19-8+,20-18-
Affinity DataIC50: 1nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380458(US9926306, ID 183-88)
Show SMILES CC(C)(C)c1cs\c(=N/C2CCCCC2)n1\N=C\c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C20H27N3O3S/c1-20(2,3)17-12-27-19(22-14-7-5-4-6-8-14)23(17)21-11-13-9-15(24)18(26)16(25)10-13/h9-12,14,24-26H,4-8H2,1-3H3/b21-11+,22-19-
Affinity DataIC50: 1.16nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380459(US9926306, ID 187-22)
Show SMILES Cc1cs\c(=N/C2CCCc3ccccc23)n1\N=C\c1cc(O)c(O)cc1O
Show InChI InChI=1S/C21H21N3O3S/c1-13-12-28-21(23-17-8-4-6-14-5-2-3-7-16(14)17)24(13)22-11-15-9-19(26)20(27)10-18(15)25/h2-3,5,7,9-12,17,25-27H,4,6,8H2,1H3/b22-11+,23-21-
Affinity DataIC50: 1.41nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380460(US9926306, ID 183-8)
Show SMILES Cc1s\c(=N/C2CCCCC2)n(\N=C\c2ccc(O)c(O)c2O)c1C
Show InChI InChI=1S/C18H23N3O3S/c1-11-12(2)25-18(20-14-6-4-3-5-7-14)21(11)19-10-13-8-9-15(22)17(24)16(13)23/h8-10,14,22-24H,3-7H2,1-2H3/b19-10+,20-18-
Affinity DataIC50: 1.5nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380461(US9926306, ID 187-20)
Show SMILES CC(C)C(C)\N=c1/scc(C)n1\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C16H21N3O3S/c1-9(2)11(4)18-16-19(10(3)8-23-16)17-7-12-5-6-13(20)15(22)14(12)21/h5-9,11,20-22H,1-4H3/b17-7+,18-16-
Affinity DataIC50: 1.78nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380462(US9926306, ID 183-70)
Show SMILES CC(C)(C)Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C21H29N3O3S/c1-21(2,3)11-16-13-28-20(23-15-7-5-4-6-8-15)24(16)22-12-14-9-10-17(25)19(27)18(14)26/h9-10,12-13,15,25-27H,4-8,11H2,1-3H3/b22-12+,23-20-
Affinity DataIC50: 1.97nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380463(US9926306, ID 178-82)
Show SMILES CCc1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C18H23N3O3S/c1-2-14-11-25-18(20-13-6-4-3-5-7-13)21(14)19-10-12-8-9-15(22)17(24)16(12)23/h8-11,13,22-24H,2-7H2,1H3/b19-10+,20-18-
Affinity DataIC50: 2.10nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380464(US9926306, ID 183-22)
Show SMILES Oc1ccc(\C=N\n2c(cs\c2=N/C2CCCC2)C2CC2)c(O)c1O
Show InChI InChI=1S/C18H21N3O3S/c22-15-8-7-12(16(23)17(15)24)9-19-21-14(11-5-6-11)10-25-18(21)20-13-3-1-2-4-13/h7-11,13,22-24H,1-6H2/b19-9+,20-18-
Affinity DataIC50: 2.40nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380465(US9926306, ID 187-5)
Show SMILES Cc1cs\c(=N/CC2CCCCC2)n1\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C18H23N3O3S/c1-12-11-25-18(19-9-13-5-3-2-4-6-13)21(12)20-10-14-7-8-15(22)17(24)16(14)23/h7-8,10-11,13,22-24H,2-6,9H2,1H3/b19-18-,20-10+
Affinity DataIC50: 2.70nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380466(US9926306, ID 183-51)
Show SMILES Oc1ccc(\C=N\N2\C(SCC2(O)C(F)(F)F)=N\C2CCCCC2)c(O)c1O
Show InChI InChI=1S/C17H20F3N3O4S/c18-17(19,20)16(27)9-28-15(22-11-4-2-1-3-5-11)23(16)21-8-10-6-7-12(24)14(26)13(10)25/h6-8,11,24-27H,1-5,9H2/b21-8+,22-15-
Affinity DataIC50: 2.90nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380467(US9926306, ID 183-19)
Show SMILES Cc1cs\c(=N/C2CCCC2)n1\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C16H19N3O3S/c1-10-9-23-16(18-12-4-2-3-5-12)19(10)17-8-11-6-7-13(20)15(22)14(11)21/h6-9,12,20-22H,2-5H2,1H3/b17-8+,18-16-
Affinity DataIC50: 3.10nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380469(US9926306, ID 187-27)
Show SMILES CC(C)C(C)\N=c1/scc(n1\N=C\c1ccc(O)c(O)c1O)C(C)(C)C
Show InChI InChI=1S/C19H27N3O3S/c1-11(2)12(3)21-18-22(15(10-26-18)19(4,5)6)20-9-13-7-8-14(23)17(25)16(13)24/h7-12,23-25H,1-6H3/b20-9+,21-18-
Affinity DataIC50: 4.30nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380468(US9926306, ID 183-21)
Show SMILES Oc1ccc(\C=N\n2c(cs\c2=N/c2ccccc2)C2CC2)c(O)c1O
Show InChI InChI=1S/C19H17N3O3S/c23-16-9-8-13(17(24)18(16)25)10-20-22-15(12-6-7-12)11-26-19(22)21-14-4-2-1-3-5-14/h1-5,8-12,23-25H,6-7H2/b20-10+,21-19-
Affinity DataIC50: 4.30nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380470(US9926306, ID 187-23)
Show SMILES Cc1cs\c(=N/C2CCCc3ccccc23)n1\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C21H21N3O3S/c1-13-12-28-21(23-17-8-4-6-14-5-2-3-7-16(14)17)24(13)22-11-15-9-10-18(25)20(27)19(15)26/h2-3,5,7,9-12,17,25-27H,4,6,8H2,1H3/b22-11+,23-21-
Affinity DataIC50: 4.36nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380471(US9926306, ID 183-81)
Show SMILES Oc1ccc(\C=N\n2c3CCCCc3s\c2=N/C2CCCCC2)c(O)c1O
Show InChI InChI=1S/C20H25N3O3S/c24-16-11-10-13(18(25)19(16)26)12-21-23-15-8-4-5-9-17(15)27-20(23)22-14-6-2-1-3-7-14/h10-12,14,24-26H,1-9H2/b21-12+,22-20-
Affinity DataIC50: 4.5nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380472(US9926306, ID 187-39)
Show SMILES CC(C)C(C)\N=c1/scc(C2CC2)n1\N=C\c1cc(O)c(O)cc1O
Show InChI InChI=1S/C18H23N3O3S/c1-10(2)11(3)20-18-21(14(9-25-18)12-4-5-12)19-8-13-6-16(23)17(24)7-15(13)22/h6-12,22-24H,4-5H2,1-3H3/b19-8+,20-18-
Affinity DataIC50: 7.30nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380473(US9926306, ID 183-85)
Show SMILES COc1cc(\C=N\n2c(C)cs\c2=N/C2CCCCC2)cc(OC)c1OC
Show InChI InChI=1S/C20H27N3O3S/c1-14-13-27-20(22-16-8-6-5-7-9-16)23(14)21-12-15-10-17(24-2)19(26-4)18(11-15)25-3/h10-13,16H,5-9H2,1-4H3/b21-12+,22-20-
Affinity DataIC50: 7.60nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380474(US9926306, ID 178-97)
Show SMILES Oc1ccc(\C=N\n2c(CCOC=O)cs\c2=N/C2CCCCC2)c(O)c1O
Show InChI InChI=1S/C19H23N3O5S/c23-12-27-9-8-15-11-28-19(21-14-4-2-1-3-5-14)22(15)20-10-13-6-7-16(24)18(26)17(13)25/h6-7,10-12,14,24-26H,1-5,8-9H2/b20-10+,21-19-
Affinity DataIC50: 9.5nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380475(US9926306, ID 183-76)
Show SMILES Oc1ccc(\C=N\n2c(cs\c2=N/C2CCCCC2)-c2cccs2)c(O)c1O
Show InChI InChI=1S/C20H21N3O3S2/c24-16-9-8-13(18(25)19(16)26)11-21-23-15(17-7-4-10-27-17)12-28-20(23)22-14-5-2-1-3-6-14/h4,7-12,14,24-26H,1-3,5-6H2/b21-11+,22-20-
Affinity DataIC50: 11nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380476(US9926306, ID 183-91)
Show SMILES CCOC(=O)c1s\c(=N/C2CCCCC2)n(\N=C\c2ccc(O)c(O)c2O)c1C
Show InChI InChI=1S/C20H25N3O5S/c1-3-28-19(27)18-12(2)23(20(29-18)22-14-7-5-4-6-8-14)21-11-13-9-10-15(24)17(26)16(13)25/h9-11,14,24-26H,3-8H2,1-2H3/b21-11+,22-20-
Affinity DataIC50: 11.8nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380477(US9926306, ID 183-38)
Show SMILES Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H21N3O2S/c1-12-11-23-17(19-14-5-3-2-4-6-14)20(12)18-10-13-7-8-15(21)16(22)9-13/h7-11,14,21-22H,2-6H2,1H3/b18-10+,19-17-
Affinity DataIC50: 12nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380478(US9926306, ID 183-84)
Show SMILES Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C17H21N3O3S/c1-11-10-24-17(19-13-5-3-2-4-6-13)20(11)18-9-12-7-14(21)16(23)15(22)8-12/h7-10,13,21-23H,2-6H2,1H3/b18-9+,19-17-
Affinity DataIC50: 13nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380479(US9926306, ID 187-82)
Show SMILES Cc1cs\c(=N/c2ccccc2)n1\N=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H15N3O2S/c1-12-11-23-17(19-14-5-3-2-4-6-14)20(12)18-10-13-7-8-15(21)16(22)9-13/h2-11,21-22H,1H3/b18-10+,19-17-
Affinity DataIC50: 13.3nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380480(US9926306, ID 178-72)
Show SMILES Oc1ccc(\C=N\NC(=S)NC2CCCCC2)c(O)c1O
Show InChI InChI=1S/C14H19N3O3S/c18-11-7-6-9(12(19)13(11)20)8-15-17-14(21)16-10-4-2-1-3-5-10/h6-8,10,18-20H,1-5H2,(H2,16,17,21)/b15-8+
Affinity DataIC50: 16nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380481(US9926306, ID 183-24)
Show SMILES CCOc1ccccc1\N=c1/scc(C)n1\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C19H19N3O4S/c1-3-26-16-7-5-4-6-14(16)21-19-22(12(2)11-27-19)20-10-13-8-9-15(23)18(25)17(13)24/h4-11,23-25H,3H2,1-2H3/b20-10+,21-19-
Affinity DataIC50: 16nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380482(US9926306, ID 183-65)
Show SMILES CC(C)(C)c1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C20H27N3O2S/c1-20(2,3)18-13-26-19(22-15-7-5-4-6-8-15)23(18)21-12-14-9-10-16(24)17(25)11-14/h9-13,15,24-25H,4-8H2,1-3H3/b21-12+,22-19-
Affinity DataIC50: 17.7nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380443(US9926306, ID 187-7)
Show SMILES Oc1cc(O)c(\C=N\n2c(cs\c2=N/C2CCCCC2)C2CC2)cc1O
Show InChI InChI=1S/C19H23N3O3S/c23-16-9-18(25)17(24)8-13(16)10-20-22-15(12-6-7-12)11-26-19(22)21-14-4-2-1-3-5-14/h8-12,14,23-25H,1-7H2/b20-10+,21-19-
Affinity DataIC50: 123nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380450(US9926306, ID 183-87)
Show SMILES CC(C)(C)c1cs\c(=N/C2CCCCC2)n1\N=C\c1cc(O)c(O)cc1O
Show InChI InChI=1S/C20H27N3O3S/c1-20(2,3)18-12-27-19(22-14-7-5-4-6-8-14)23(18)21-11-13-9-16(25)17(26)10-15(13)24/h9-12,14,24-26H,4-8H2,1-3H3/b21-11+,22-19-
Affinity DataIC50: 151nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380451(US9926306, ID 183-44)
Show SMILES CC(C)(C)c1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C20H27N3O3S/c1-20(2,3)16-12-27-19(22-14-7-5-4-6-8-14)23(16)21-11-13-9-10-15(24)18(26)17(13)25/h9-12,14,24-26H,4-8H2,1-3H3/b21-11+,22-19-
Affinity DataIC50: 540nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380452(US9926306, ID 187-44)
Show SMILES Cc1s\c(=N/C2CCCCC2)n(\N=C\c2cc(O)c(O)cc2O)c1C1CC1
Show InChI InChI=1S/C20H25N3O3S/c1-12-19(13-7-8-13)23(20(27-12)22-15-5-3-2-4-6-15)21-11-14-9-17(25)18(26)10-16(14)24/h9-11,13,15,24-26H,2-8H2,1H3/b21-11+,22-20-
Affinity DataIC50: 587nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM238185(US9394303, 57)
Show SMILES Cc1nn(Cc2ccc(Oc3cc(C)c(Cl)c(C)c3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C27H22ClN3O4/c1-15-11-20(12-16(2)25(15)28)35-19-8-6-18(7-9-19)14-31-26-24(17(3)30-31)21(27(32)33)13-22(29-26)23-5-4-10-34-23/h4-13H,14H2,1-3H3,(H,32,33)
Affinity DataKi:  130nM ΔG°:  -9.39kcal/mole IC50: 670nMpH: 7.4 T: 2°CAssay Description:Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...More data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380453(US9926306, ID 183-89)
Show SMILES Cc1s\c(=N/C2CCCCC2)n(\N=C\c2cc(O)c(O)cc2O)c1C
Show InChI InChI=1S/C18H23N3O3S/c1-11-12(2)25-18(20-14-6-4-3-5-7-14)21(11)19-10-13-8-16(23)17(24)9-15(13)22/h8-10,14,22-24H,3-7H2,1-2H3/b19-10+,20-18-
Affinity DataIC50: 780nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380454(US9926306, ID 187-19)
Show SMILES CC(C)C(C)\N=C1/SCC(Br)(C2CC2)N1\N=C\c1cc(O)c(O)cc1O
Show InChI InChI=1S/C18H24BrN3O3S/c1-10(2)11(3)21-17-22(18(19,9-26-17)13-4-5-13)20-8-12-6-15(24)16(25)7-14(12)23/h6-8,10-11,13,23-25H,4-5,9H2,1-3H3/b20-8+,21-17-
Affinity DataIC50: 891nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380455(US9926306, ID 178-83)
Show SMILES Oc1ccc(\C=N\n2c(cs\c2=N/C2CCCCC2)C2CC2)c(O)c1O
Show InChI InChI=1S/C19H23N3O3S/c23-16-9-8-13(17(24)18(16)25)10-20-22-15(12-6-7-12)11-26-19(22)21-14-4-2-1-3-5-14/h8-12,14,23-25H,1-7H2/b20-10+,21-19-
Affinity DataIC50: 910nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM380456(US9926306, ID 183-82 | US9926306, ID 187-79)
Show SMILES Cc1cs\c(=N/C2CC3CCC2C3)n1\N=C\c1cc(O)c(O)cc1O
Show InChI InChI=1S/C18H21N3O3S/c1-10-9-25-18(20-14-5-11-2-3-12(14)4-11)21(10)19-8-13-6-16(23)17(24)7-15(13)22/h6-9,11-12,14,22-24H,2-5H2,1H3/b19-8+,20-18-
Affinity DataIC50: 937nMAssay Description:A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM238190(US9394303, 16)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(\C=C\c3ccccc3)cc(C(O)=O)c12
Show InChI InChI=1S/C29H23N3O3/c1-20-27-26(29(33)34)18-23(15-12-21-8-4-2-5-9-21)30-28(27)32(31-20)19-22-13-16-25(17-14-22)35-24-10-6-3-7-11-24/h2-18H,19H2,1H3,(H,33,34)/b15-12+
Affinity DataKi:  210nM ΔG°:  -9.10kcal/mole IC50: 1.11E+3nMpH: 7.4 T: 2°CAssay Description:Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM238186(US9394303, 58)
Show SMILES Cc1nn(Cc2ccc(Oc3cccc4ccccc34)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C29H21N3O4/c1-18-27-23(29(33)34)16-24(26-10-5-15-35-26)30-28(27)32(31-18)17-19-11-13-21(14-12-19)36-25-9-4-7-20-6-2-3-8-22(20)25/h2-16H,17H2,1H3,(H,33,34)
Affinity DataKi:  250nM ΔG°:  -9.00kcal/mole IC50: 1.28E+3nMpH: 7.4 T: 2°CAssay Description:Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM238181(US9394303, 8)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C25H19N3O4/c1-16-23-20(25(29)30)14-21(22-8-5-13-31-22)26-24(23)28(27-16)15-17-9-11-19(12-10-17)32-18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,29,30)
Affinity DataKi:  290nM ΔG°:  -8.91kcal/mole IC50: 1.52E+3nMpH: 7.4 T: 2°CAssay Description:Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM238192(US9394303, 18)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(CCc3ccccc3)cc(C(O)=O)c12
Show InChI InChI=1S/C29H25N3O3/c1-20-27-26(29(33)34)18-23(15-12-21-8-4-2-5-9-21)30-28(27)32(31-20)19-22-13-16-25(17-14-22)35-24-10-6-3-7-11-24/h2-11,13-14,16-18H,12,15,19H2,1H3,(H,33,34)
Affinity DataKi:  490nM ΔG°:  -8.60kcal/mole IC50: 2.54E+3nMpH: 7.4 T: 2°CAssay Description:Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM238187(US9394303, 59)
Show SMILES Cc1nn(-c2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C24H17N3O4/c1-15-22-19(24(28)29)14-20(21-8-5-13-30-21)25-23(22)27(26-15)16-9-11-18(12-10-16)31-17-6-3-2-4-7-17/h2-14H,1H3,(H,28,29)
Affinity DataKi:  820nM ΔG°:  -8.30kcal/mole IC50: 4.27E+3nMpH: 7.4 T: 2°CAssay Description:Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM238196(US9394303, 62)
Show SMILES Cc1nn(Cc2ccc(Oc3ccc(F)cc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C27H19F2N3O3/c1-16-25-23(27(33)34)14-24(18-4-6-19(28)7-5-18)30-26(25)32(31-16)15-17-2-10-21(11-3-17)35-22-12-8-20(29)9-13-22/h2-14H,15H2,1H3,(H,33,34)
Affinity DataKi:  880nM ΔG°:  -8.26kcal/mole IC50: 4.51E+3nMpH: 7.4 T: 2°CAssay Description:Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM238184(US9394303, 56)
Show SMILES Cc1nn(Cc2ccc(Oc3ccc(F)cc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C25H18FN3O4/c1-15-23-20(25(30)31)13-21(22-3-2-12-32-22)27-24(23)29(28-15)14-16-4-8-18(9-5-16)33-19-10-6-17(26)7-11-19/h2-13H,14H2,1H3,(H,30,31)
Affinity DataKi:  900nM ΔG°:  -8.24kcal/mole IC50: 4.68E+3nMpH: 7.4 T: 2°CAssay Description:Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM238191(US9394303, 17)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)C#Cc1ccccc1
Show InChI InChI=1S/C29H21N3O3/c1-20-27-26(29(33)34)18-23(15-12-21-8-4-2-5-9-21)30-28(27)32(31-20)19-22-13-16-25(17-14-22)35-24-10-6-3-7-11-24/h2-11,13-14,16-18H,19H2,1H3,(H,33,34)
Affinity DataKi:  1.21E+3nM ΔG°:  -8.07kcal/mole IC50: 6.30E+3nMpH: 7.4 T: 2°CAssay Description:Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM50318189((Z)-2-(3-((7-(2-Methoxyphenyl)-9-oxo-5H-benzo[h]th...)
Show SMILES COc1ccccc1C1C2=C(N=c3s\c(=C/c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C30H24N2O5S/c1-36-24-12-5-4-11-22(24)28-23-14-13-19-8-2-3-10-21(19)27(23)31-30-32(28)29(35)25(38-30)16-18-7-6-9-20(15-18)37-17-26(33)34/h2-12,15-16,28H,13-14,17H2,1H3,(H,33,34)/b25-16-
Affinity DataIC50: 6.40E+3nMAssay Description:Displacement of FITC-labeled BH3 peptide from GST-tagged mouse Mcl1 after 1 hr by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM238195(US9394303, 61)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)-c1cccs1
Show InChI InChI=1S/C25H19N3O3S/c1-16-23-20(25(29)30)14-21(22-8-5-13-32-22)26-24(23)28(27-16)15-17-9-11-19(12-10-17)31-18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,29,30)
Affinity DataKi:  1.30E+3nM ΔG°:  -8.02kcal/mole IC50: 6.76E+3nMpH: 7.4 T: 2°CAssay Description:Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM238180(US9394303, 7)
Show SMILES Cc1nn(Cc2ccc(cc2)-c2ccccc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C25H19N3O3/c1-16-23-20(25(29)30)14-21(22-8-5-13-31-22)26-24(23)28(27-16)15-17-9-11-19(12-10-17)18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,29,30)
Affinity DataKi:  1.40E+3nM ΔG°:  -7.98kcal/mole IC50: 7.30E+3nMpH: 7.4 T: 2°CAssay Description:Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM238182(US9394303, 9)
Show SMILES Cc1nn(Cc2cccc(Oc3ccccc3)c2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C25H19N3O4/c1-16-23-20(25(29)30)14-21(22-11-6-12-31-22)26-24(23)28(27-16)15-17-7-5-10-19(13-17)32-18-8-3-2-4-9-18/h2-14H,15H2,1H3,(H,29,30)
Affinity DataKi:  1.40E+3nM ΔG°:  -7.98kcal/mole IC50: 7.30E+3nMpH: 7.4 T: 2°CAssay Description:Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM238194(US9394303, 60)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccccc1
Show InChI InChI=1S/C27H21N3O3/c1-18-25-23(27(31)32)16-24(20-8-4-2-5-9-20)28-26(25)30(29-18)17-19-12-14-22(15-13-19)33-21-10-6-3-7-11-21/h2-16H,17H2,1H3,(H,31,32)
Affinity DataKi:  1.53E+3nM ΔG°:  -7.93kcal/mole IC50: 7.97E+3nMpH: 7.4 T: 2°CAssay Description:Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM50318190((Z)-3-((2-Methoxy-4-((7-(4-methoxyphenyl)-9-oxo-5H...)
Show SMILES COc1ccc(cc1)C1C2=C(N=c3s\c(=C/c4ccc(OCc5cccc(c5)C(O)=O)c(OC)c4)c(=O)n13)c1ccccc1CC2
Show InChI InChI=1S/C37H30N2O6S/c1-43-27-14-11-25(12-15-27)34-29-16-13-24-7-3-4-9-28(24)33(29)38-37-39(34)35(40)32(46-37)20-22-10-17-30(31(19-22)44-2)45-21-23-6-5-8-26(18-23)36(41)42/h3-12,14-15,17-20,34H,13,16,21H2,1-2H3,(H,41,42)/b32-20-
Affinity DataIC50: 8.60E+3nMAssay Description:Displacement of FITC-labeled BH3 peptide from GST-tagged mouse Mcl1 after 1 hr by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Dana-Farber Cancer Institute Inc

US Patent
LigandPNGBDBM50266967(CHEBI:66678 | CHEMBL3393621)
Show SMILES Oc1ccccc1C(=O)c1[nH]c(Cl)c(Cl)c1-n1c(Cl)c(Cl)cc1C(=O)c1ccccc1O
Show InChI InChI=1S/C22H12Cl4N2O4/c23-12-9-13(19(31)10-5-1-3-7-14(10)29)28(22(12)26)18-16(24)21(25)27-17(18)20(32)11-6-2-4-8-15(11)30/h1-9,27,29-30H
Affinity DataIC50: 1.01E+4nMAssay Description:In vitro inhibitory activity against monkey plasma reninMore data for this Ligand-Target Pair
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