Compile Data Set for Download or QSAR
Found 62 of ki for UniProtKB: P97287
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314865(CHEMBL4172616)
Show SMILES CC1=C[C@@H](\C=C(/Cl)c2ccc(cc2)C(O)=O)[C@@]2(C=C[C@@H](CCOC(=O)c3ccc(Oc4cccnc4)cc3)C[C@@H]2C1)C(O)=O
Show InChI InChI=1S/C35H32ClNO7/c1-22-17-27-19-23(13-16-43-33(40)26-8-10-29(11-9-26)44-30-3-2-15-37-21-30)12-14-35(27,34(41)42)28(18-22)20-31(36)24-4-6-25(7-5-24)32(38)39/h2-12,14-15,18,20-21,23,27-28H,13,16-17,19H2,1H3,(H,38,39)(H,41,42)/b31-20-/t23-,27-,28-,35-/m0/s1
Affinity DataKi:  110nMAssay Description:Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
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))
Universit£ Paris-Saclay

Curated by ChEMBL
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))
Universit£ Paris-Saclay

Curated by ChEMBL
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))
Universit£ Paris-Saclay

Curated by ChEMBL
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))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314860(CHEMBL4161200)
Show SMILES CC1=C[C@@H](\C=C(/Cl)c2ccc(cc2)C(O)=O)[C@@]2(C=C[C@@H](CCOC(=O)Nc3cccc(Br)c3)C[C@@H]2C1)C(O)=O
Show InChI InChI=1S/C30H29BrClNO6/c1-18-13-22-15-19(10-12-39-29(38)33-25-4-2-3-24(31)17-25)9-11-30(22,28(36)37)23(14-18)16-26(32)20-5-7-21(8-6-20)27(34)35/h2-9,11,14,16-17,19,22-23H,10,12-13,15H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-16-/t19-,22-,23-,30-/m0/s1
Affinity DataKi:  340nMAssay Description:Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314864(CHEMBL4172927)
Show SMILES CC1=C[C@@H](\C=C(/Cl)c2ccc(cc2)C(O)=O)[C@@]2(C=C[C@@H](CCOC(=O)c3ccc(Oc4ccc(NC(=O)COc5ccc(C)cc5)cc4)cc3)C[C@@H]2C1)C(O)=O
Show InChI InChI=1S/C45H42ClNO9/c1-28-3-13-37(14-4-28)55-27-41(48)47-36-11-17-39(18-12-36)56-38-15-9-33(10-16-38)43(51)54-22-20-30-19-21-45(44(52)53)34(25-30)23-29(2)24-35(45)26-40(46)31-5-7-32(8-6-31)42(49)50/h3-19,21,24,26,30,34-35H,20,22-23,25,27H2,1-2H3,(H,47,48)(H,49,50)(H,52,53)/b40-26-/t30-,34-,35-,45-/m0/s1
Affinity DataKi:  460nMAssay Description:Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314859(CHEMBL4169123)
Show SMILES CC1=C[C@@H](\C=C(/Cl)c2ccc(cc2)C(O)=O)[C@@]2(C=C[C@@H](CCOC(=O)Nc3ccc(Br)cc3)C[C@@H]2C1)C(O)=O
Show InChI InChI=1S/C30H29BrClNO6/c1-18-14-22-16-19(11-13-39-29(38)33-25-8-6-24(31)7-9-25)10-12-30(22,28(36)37)23(15-18)17-26(32)20-2-4-21(5-3-20)27(34)35/h2-10,12,15,17,19,22-23H,11,13-14,16H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-17-/t19-,22-,23-,30-/m0/s1
Affinity DataKi:  460nMAssay Description:Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
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))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314863(CHEMBL4162253)
Show SMILES CC1=C[C@@H](\C=C(/Cl)c2ccc(cc2)C(O)=O)[C@@]2(C=C[C@@H](CCOC(=O)c3ccc(Cl)cc3)C[C@@H]2C1)C(O)=O
Show InChI InChI=1S/C30H28Cl2O6/c1-18-14-23-16-19(11-13-38-28(35)22-6-8-25(31)9-7-22)10-12-30(23,29(36)37)24(15-18)17-26(32)20-2-4-21(5-3-20)27(33)34/h2-10,12,15,17,19,23-24H,11,13-14,16H2,1H3,(H,33,34)(H,36,37)/b26-17-/t19-,23-,24-,30-/m0/s1
Affinity DataKi:  490nMAssay Description:Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50315690(CHEMBL4177447)
Show SMILES CC1=C[C@@H](\C=C(/Cl)c2ccc(cc2)C(O)=O)[C@@]2(C=C[C@@H](CCn3cc(nn3)-c3ccccc3)C[C@@H]2C1)C(O)=O
Show InChI InChI=1S/C31H30ClN3O4/c1-20-15-25-17-21(12-14-35-19-28(33-34-35)23-5-3-2-4-6-23)11-13-31(25,30(38)39)26(16-20)18-27(32)22-7-9-24(10-8-22)29(36)37/h2-11,13,16,18-19,21,25-26H,12,14-15,17H2,1H3,(H,36,37)(H,38,39)/b27-18-/t21-,25-,26-,31-/m0/s1
Affinity DataKi:  560nMAssay Description:Antagonism of carbachol action on nAChR of isolated frog rectus abdominus.More data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314870(CHEMBL4160019)
Show SMILES COC(=O)c1ccc(cc1)C(\Cl)=C\[C@@H]1C=C(C)C[C@H]2C[C@H](CC(=O)NCc3cccnc3)C=C[C@@]12C(=O)OC
Show InChI InChI=1S/C31H33ClN2O5/c1-20-13-25-15-21(16-28(35)34-19-22-5-4-12-33-18-22)10-11-31(25,30(37)39-3)26(14-20)17-27(32)23-6-8-24(9-7-23)29(36)38-2/h4-12,14,17-18,21,25-26H,13,15-16,19H2,1-3H3,(H,34,35)/b27-17-/t21-,25+,26+,31+/m1/s1
Affinity DataKi:  740nMAssay Description:Antagonist activity against Nicotinic acetylcholine receptor (nAChR) of isolated Frog rectus Abdominis MuscleMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
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))
Universit£ Paris-Saclay

Curated by ChEMBL
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))
Universit£ Paris-Saclay

Curated by ChEMBL
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))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314874(CHEMBL4176611)
Show SMILES COC(=O)[C@@]12C=C[C@@H](CC(=O)Nc3ccc(Cl)cc3)C[C@@H]1CC(C)=C[C@H]2\C=C(/Cl)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H29Cl2NO5/c1-18-13-22-15-19(16-27(34)33-25-9-7-24(31)8-10-25)11-12-30(22,29(37)38-2)23(14-18)17-26(32)20-3-5-21(6-4-20)28(35)36/h3-12,14,17,19,22-23H,13,15-16H2,1-2H3,(H,33,34)(H,35,36)/b26-17-/t19-,22+,23+,30+/m1/s1
Affinity DataKi:  1.00E+3nMAssay Description:Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314862(CHEMBL4169534)
Show SMILES CC1=C[C@@H](\C=C(/Cl)c2ccc(cc2)C(O)=O)[C@@]2(C=C[C@@H](CCOC(=O)Nc3cccc(Cl)c3)C[C@@H]2C1)C(O)=O
Show InChI InChI=1S/C30H29Cl2NO6/c1-18-13-22-15-19(10-12-39-29(38)33-25-4-2-3-24(31)17-25)9-11-30(22,28(36)37)23(14-18)16-26(32)20-5-7-21(8-6-20)27(34)35/h2-9,11,14,16-17,19,22-23H,10,12-13,15H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-16-/t19-,22-,23-,30-/m0/s1
Affinity DataKi:  1.08E+3nMAssay Description:Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
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))
Universit£ Paris-Saclay

Curated by ChEMBL
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))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314861(CHEMBL4177395)
Show SMILES CC1=C[C@@H](\C=C(/Cl)c2ccc(cc2)C(O)=O)[C@@]2(C=C[C@@H](CCOC(=O)Nc3ccc(Cl)cc3)C[C@@H]2C1)C(O)=O
Show InChI InChI=1S/C30H29Cl2NO6/c1-18-14-22-16-19(11-13-39-29(38)33-25-8-6-24(31)7-9-25)10-12-30(22,28(36)37)23(15-18)17-26(32)20-2-4-21(5-3-20)27(34)35/h2-10,12,15,17,19,22-23H,11,13-14,16H2,1H3,(H,33,38)(H,34,35)(H,36,37)/b26-17-/t19-,22-,23-,30-/m0/s1
Affinity DataKi:  1.38E+3nMAssay Description:Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
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))
Universit£ Paris-Saclay

Curated by ChEMBL
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))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50357753(CHEMBL1916191)
Show SMILES C[C@@H]1CN(CCN1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C38H43F3N6O5S2/c1-27-24-46(22-21-45(27)25-29-9-7-8-12-34(29)38(39,40)41)31-15-13-28(14-16-31)37(48)43-54(51,52)33-17-18-35(36(23-33)47(49)50)42-30(19-20-44(2)3)26-53-32-10-5-4-6-11-32/h4-18,23,27,30,42H,19-22,24-26H2,1-3H3,(H,43,48)/t27-,30-/m1/s1
Affinity DataKi:  1.50E+3nMAssay Description:Displacement of BODIPY-Bak conjugated peptide from GST-tagged mouse wild type MCL1 expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by f...More data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314855(CHEMBL4176314)
Show SMILES CC(=O)c1ccc(NC(=O)OCC[C@H]2C[C@@H]3CC(C)=C[C@@H](\C=C(/Cl)c4ccc(cc4)C(O)=O)[C@@]3(C=C2)C(O)=O)cc1
Show InChI InChI=1S/C32H32ClNO7/c1-19-15-25-17-21(12-14-41-31(40)34-27-9-7-22(8-10-27)20(2)35)11-13-32(25,30(38)39)26(16-19)18-28(33)23-3-5-24(6-4-23)29(36)37/h3-11,13,16,18,21,25-26H,12,14-15,17H2,1-2H3,(H,34,40)(H,36,37)(H,38,39)/b28-18-/t21-,25-,26-,32-/m0/s1
Affinity DataKi:  1.52E+3nMAssay Description:Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
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))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50357752(CHEMBL1916190)
Show SMILES C[C@H]1CN(CCN1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C38H43F3N6O5S2/c1-27-24-46(22-21-45(27)25-29-9-7-8-12-34(29)38(39,40)41)31-15-13-28(14-16-31)37(48)43-54(51,52)33-17-18-35(36(23-33)47(49)50)42-30(19-20-44(2)3)26-53-32-10-5-4-6-11-32/h4-18,23,27,30,42H,19-22,24-26H2,1-3H3,(H,43,48)/t27-,30+/m0/s1
Affinity DataKi:  2.00E+3nMAssay Description:Displacement of BODIPY-Bak conjugated peptide from GST-tagged mouse wild type MCL1 expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by f...More data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50357756(CHEMBL1916194)
Show SMILES CC(C)[C@@H]1CN(Cc2ccccc2C(F)(F)F)CCN1c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C40H47F3N6O5S2/c1-28(2)38-26-47(25-30-10-8-9-13-35(30)40(41,42)43)22-23-48(38)32-16-14-29(15-17-32)39(50)45-56(53,54)34-18-19-36(37(24-34)49(51)52)44-31(20-21-46(3)4)27-55-33-11-6-5-7-12-33/h5-19,24,28,31,38,44H,20-23,25-27H2,1-4H3,(H,45,50)/t31-,38+/m1/s1
Affinity DataKi:  2.00E+3nMAssay Description:Displacement of BODIPY-Bak conjugated peptide from GST-tagged mouse wild type MCL1 expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by f...More data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50357755(CHEMBL1916193)
Show SMILES CC(C)[C@H]1CN(Cc2ccccc2C(F)(F)F)CCN1c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C40H47F3N6O5S2/c1-28(2)38-26-47(25-30-10-8-9-13-35(30)40(41,42)43)22-23-48(38)32-16-14-29(15-17-32)39(50)45-56(53,54)34-18-19-36(37(24-34)49(51)52)44-31(20-21-46(3)4)27-55-33-11-6-5-7-12-33/h5-19,24,28,31,38,44H,20-23,25-27H2,1-4H3,(H,45,50)/t31-,38-/m1/s1
Affinity DataKi:  2.00E+3nMAssay Description:Displacement of BODIPY-Bak conjugated peptide from GST-tagged mouse wild type MCL1 expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by f...More data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM238183(US9394303, 10)
Show SMILES Cc1nn(Cc2ccccc2Oc2ccccc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C25H19N3O4/c1-16-23-19(25(29)30)14-20(22-12-7-13-31-22)26-24(23)28(27-16)15-17-8-5-6-11-21(17)32-18-9-3-2-4-10-18/h2-14H,15H2,1H3,(H,29,30)
Affinity DataKi:  2.06E+3nM ΔG°:  -7.75kcal/mole IC50: 1.07E+4nMpH: 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))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50315693(CHEMBL4166826)
Show SMILES CC1=C[C@@H](\C=C(/Cl)c2ccc(cc2)C(O)=O)[C@@]2(C=C[C@@H](CCn3cc(Cc4ccccc4)nn3)C[C@@H]2C1)C(O)=O
Show InChI InChI=1S/C32H32ClN3O4/c1-21-15-26-17-23(12-14-36-20-28(34-35-36)18-22-5-3-2-4-6-22)11-13-32(26,31(39)40)27(16-21)19-29(33)24-7-9-25(10-8-24)30(37)38/h2-11,13,16,19-20,23,26-27H,12,14-15,17-18H2,1H3,(H,37,38)(H,39,40)/b29-19-/t23-,26-,27-,32-/m0/s1
Affinity DataKi:  2.07E+3nMAssay Description:Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM238193(US9394303, 55)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C27H20FN3O3/c1-17-25-23(27(32)33)15-24(19-9-11-20(28)12-10-19)29-26(25)31(30-17)16-18-7-13-22(14-8-18)34-21-5-3-2-4-6-21/h2-15H,16H2,1H3,(H,32,33)
Affinity DataKi:  2.09E+3nM ΔG°:  -7.74kcal/mole IC50: 1.09E+4nMpH: 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))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50315549(CHEMBL4175537)
Show SMILES CC(=O)OCOC(=O)c1ccc(cc1)C(\Cl)=C\[C@@H]1C=C(C)C[C@H]2C[C@H](CCN=[N+]=[N-])C=C[C@@]12C(=O)OCOC(C)=O
Show InChI InChI=1S/C29H32ClN3O8/c1-18-12-24-14-21(9-11-32-33-31)8-10-29(24,28(37)41-17-39-20(3)35)25(13-18)15-26(30)22-4-6-23(7-5-22)27(36)40-16-38-19(2)34/h4-8,10,13,15,21,24-25H,9,11-12,14,16-17H2,1-3H3/b26-15-/t21-,24-,25-,29-/m0/s1
Affinity DataKi:  2.25E+3nMAssay Description:Antagonism of carbachol action on nAChR of isolated frog rectus abdominus.More data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM238189(US9394303, 15)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(NCc3ccco3)cc(C(O)=O)c12
Show InChI InChI=1S/C26H22N4O4/c1-17-24-22(26(31)32)14-23(27-15-21-8-5-13-33-21)28-25(24)30(29-17)16-18-9-11-20(12-10-18)34-19-6-3-2-4-7-19/h2-14H,15-16H2,1H3,(H,27,28)(H,31,32)
Affinity DataKi:  2.39E+3nM ΔG°:  -7.66kcal/mole IC50: 1.24E+4nMpH: 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))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50119(1-(3-chlorophenyl)-6-(2-furanyl)-3-methyl-4-pyrazo...)
Show SMILES Cc1nn(-c2cccc(Cl)c2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C18H12ClN3O3/c1-10-16-13(18(23)24)9-14(15-6-3-7-25-15)20-17(16)22(21-10)12-5-2-4-11(19)8-12/h2-9H,1H3,(H,23,24)
Affinity DataKi:  2.64E+3nM ΔG°:  -7.60kcal/mole IC50: 1.37E+4nMpH: 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))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM238188(US9394303, 14)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(C)cc(C(O)=O)c12
Show InChI InChI=1S/C22H19N3O3/c1-14-12-19(22(26)27)20-15(2)24-25(21(20)23-14)13-16-8-10-18(11-9-16)28-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,26,27)
Affinity DataKi:  3.32E+3nM ΔG°:  -7.47kcal/mole IC50: 1.73E+4nMpH: 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))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM238179(US9394303, 6)
Show SMILES Cc1nn(Cc2ccccc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C19H15N3O3/c1-12-17-14(19(23)24)10-15(16-8-5-9-25-16)20-18(17)22(21-12)11-13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,23,24)
Affinity DataKi:  3.54E+3nM ΔG°:  -7.43kcal/mole IC50: 1.84E+4nMpH: 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))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314877(CHEMBL4171691)
Show SMILES CC(=O)OCOC(=O)c1ccc(cc1)C(\Cl)=C\[C@@H]1C=C(C)C[C@H]2C[C@H](CC(O)=O)C=C[C@@]12C(=O)OCOC(C)=O
Show InChI InChI=1S/C29H31ClO10/c1-17-10-23-12-20(13-26(33)34)8-9-29(23,28(36)40-16-38-19(3)32)24(11-17)14-25(30)21-4-6-22(7-5-21)27(35)39-15-37-18(2)31/h4-9,11,14,20,23-24H,10,12-13,15-16H2,1-3H3,(H,33,34)/b25-14-/t20-,23+,24+,29+/m1/s1
Affinity DataKi:  3.55E+3nMAssay Description:Antagonism of carbachol action on nAChR of isolated frog rectus abdominus.More data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314947(CHEMBL4175134)
Show SMILES CC1=C[C@@H](\C=C(/Cl)c2ccc(cc2)C(O)=O)[C@@]2(C=C[C@@H](CC(=O)NCc3ccc(Cl)cc3)C[C@@H]2C1)C(O)=O
Show InChI InChI=1S/C30H29Cl2NO5/c1-18-12-23-14-20(15-27(34)33-17-19-2-8-25(31)9-3-19)10-11-30(23,29(37)38)24(13-18)16-26(32)21-4-6-22(7-5-21)28(35)36/h2-11,13,16,20,23-24H,12,14-15,17H2,1H3,(H,33,34)(H,35,36)(H,37,38)/b26-16-/t20-,23+,24+,30+/m1/s1
Affinity DataKi:  3.60E+3nMAssay Description:Antagonism of carbachol action on nAChR of isolated frog rectus abdominus.More data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM96413(6-(2-furanyl)-3-methyl-1-phenyl-4-pyrazolo[3,4-b]p...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C18H13N3O3/c1-11-16-13(18(22)23)10-14(15-8-5-9-24-15)19-17(16)21(20-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,22,23)
Affinity DataKi:  4.25E+3nM ΔG°:  -7.32kcal/mole IC50: 2.21E+4nMpH: 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))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314873(CHEMBL4174087)
Show SMILES COC(=O)[C@@]12C=C[C@@H](CC(=O)NCc3ccc(Cl)cc3)C[C@@H]1CC(C)=C[C@H]2\C=C(/Cl)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H31Cl2NO5/c1-19-13-24-15-21(16-28(35)34-18-20-3-9-26(32)10-4-20)11-12-31(24,30(38)39-2)25(14-19)17-27(33)22-5-7-23(8-6-22)29(36)37/h3-12,14,17,21,24-25H,13,15-16,18H2,1-2H3,(H,34,35)(H,36,37)/b27-17-/t21-,24+,25+,31+/m1/s1
Affinity DataKi:  4.46E+3nMAssay Description:Antagonist activity against Nicotinic acetylcholine receptor (nAChR) of isolated Frog rectus Abdominis MuscleMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314876(CHEMBL4163814)
Show SMILES CC(=O)OCOC(=O)c1ccc(cc1)C(\Cl)=C\[C@@H]1C=C(C)C[C@H]2C[C@H](CCO)C=C[C@@]12C(=O)OCOC(C)=O
Show InChI InChI=1S/C29H33ClO9/c1-18-12-24-14-21(9-11-31)8-10-29(24,28(35)39-17-37-20(3)33)25(13-18)15-26(30)22-4-6-23(7-5-22)27(34)38-16-36-19(2)32/h4-8,10,13,15,21,24-25,31H,9,11-12,14,16-17H2,1-3H3/b26-15-/t21-,24-,25-,29-/m0/s1
Affinity DataKi:  4.74E+3nMAssay Description:Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314866(CHEMBL4161959)
Show SMILES C[C@@H](CCC=C(C)C)[C@H]1C[C@@H]2CC(C)=C[C@@H](\C=C(/C)[C@H]3CCC(CC3)C(O)=O)[C@@]2(C=C1)C(O)=O
Show InChI InChI=1S/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23-,24?,25+,26-,27-,30+/m0/s1
Affinity DataKi:  5.20E+3nMAssay Description:Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314854(CHEMBL4165700)
Show SMILES CC1=C[C@@H](\C=C(/Cl)c2ccc(cc2)C(O)=O)[C@@]2(C=C[C@@H](CCOC(=O)Nc3cccnc3)C[C@@H]2C1)C(O)=O
Show InChI InChI=1S/C29H29ClN2O6/c1-18-13-22-15-19(9-12-38-28(37)32-24-3-2-11-31-17-24)8-10-29(22,27(35)36)23(14-18)16-25(30)20-4-6-21(7-5-20)26(33)34/h2-8,10-11,14,16-17,19,22-23H,9,12-13,15H2,1H3,(H,32,37)(H,33,34)(H,35,36)/b25-16-/t19-,22-,23-,29-/m0/s1
Affinity DataKi:  5.92E+3nMAssay Description:Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314875(CHEMBL4168747)
Show SMILES COC(=O)[C@@]12C=C[C@@H](CC(=O)Nc3ccc(cc3)N3CCOCC3)C[C@@H]1CC(C)=C[C@H]2\C=C(/Cl)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C34H37ClN2O6/c1-22-17-26-19-23(20-31(38)36-28-7-9-29(10-8-28)37-13-15-43-16-14-37)11-12-34(26,33(41)42-2)27(18-22)21-30(35)24-3-5-25(6-4-24)32(39)40/h3-12,18,21,23,26-27H,13-17,19-20H2,1-2H3,(H,36,38)(H,39,40)/b30-21-/t23-,26+,27+,34+/m1/s1
Affinity DataKi:  6.80E+3nMAssay Description:Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314884(CHEMBL4167271)
Show SMILES CC(=O)OCOC(=O)c1ccc(cc1)C(\Cl)=C\[C@@H]1C=C(C)C[C@H]2C[C@H](CC(=O)NCc3ccc(Cl)cc3)C=C[C@@]12C(=O)OCOC(C)=O
Show InChI InChI=1S/C36H37Cl2NO9/c1-22-14-29-16-26(17-33(42)39-19-25-4-10-31(37)11-5-25)12-13-36(29,35(44)48-21-46-24(3)41)30(15-22)18-32(38)27-6-8-28(9-7-27)34(43)47-20-45-23(2)40/h4-13,15,18,26,29-30H,14,16-17,19-21H2,1-3H3,(H,39,42)/b32-18-/t26-,29+,30+,36+/m1/s1
Affinity DataKi:  6.83E+3nMAssay Description:Antagonism of carbachol action on nAChR of isolated frog rectus abdominus.More data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50314869(CHEMBL4167274)
Show SMILES COC(=O)c1ccc(cc1)C(\Cl)=C\[C@@H]1C=C(C)C[C@H]2C[C@H](CC(=O)NCCc3ccc(Cl)cc3)C=C[C@@]12C(=O)OC
Show InChI InChI=1S/C33H35Cl2NO5/c1-21-16-26-18-23(19-30(37)36-15-13-22-4-10-28(34)11-5-22)12-14-33(26,32(39)41-3)27(17-21)20-29(35)24-6-8-25(9-7-24)31(38)40-2/h4-12,14,17,20,23,26-27H,13,15-16,18-19H2,1-3H3,(H,36,37)/b29-20-/t23-,26+,27+,33+/m1/s1
Affinity DataKi:  8.38E+3nMAssay Description:Antagonist activity against Nicotinic acetylcholine receptor (nAChR) of isolated Frog rectus Abdominis MuscleMore data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM21434(N-Benylpiperazine derivative, 23j | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C37H41F3N6O5S2/c1-43(2)19-18-29(26-52-31-9-4-3-5-10-31)41-34-17-16-32(24-35(34)46(48)49)53(50,51)42-36(47)27-12-14-30(15-13-27)45-22-20-44(21-23-45)25-28-8-6-7-11-33(28)37(38,39)40/h3-17,24,29,41H,18-23,25-26H2,1-2H3,(H,42,47)/t29-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of BODIPY-Bak conjugated peptide from GST-tagged mouse wild type MCL1 expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by f...More data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50357754(CHEMBL1916192)
Show SMILES CC1CN(CC(C)N1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C39H45F3N6O5S2/c1-27-23-46(24-28(2)47(27)25-30-10-8-9-13-35(30)39(40,41)42)32-16-14-29(15-17-32)38(49)44-55(52,53)34-18-19-36(37(22-34)48(50)51)43-31(20-21-45(3)4)26-54-33-11-6-5-7-12-33/h5-19,22,27-28,31,43H,20-21,23-26H2,1-4H3,(H,44,49)/t27?,28?,31-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of BODIPY-Bak conjugated peptide from GST-tagged mouse wild type MCL1 expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by f...More data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM50315670(CHEMBL4164915)
Show SMILES CC(=O)OCOC(=O)c1ccc(cc1)C(\Cl)=C\[C@@H]1C=C(C)C[C@H]2C[C@H](CCn3cc(nn3)-c3ccccc3)C=C[C@@]12C(=O)OCOC(C)=O
Show InChI InChI=1S/C37H38ClN3O8/c1-24-17-31-19-27(14-16-41-21-34(39-40-41)29-7-5-4-6-8-29)13-15-37(31,36(45)49-23-47-26(3)43)32(18-24)20-33(38)28-9-11-30(12-10-28)35(44)48-22-46-25(2)42/h4-13,15,18,20-21,27,31-32H,14,16-17,19,22-23H2,1-3H3/b33-20-/t27-,31-,32-,37-/m0/s1
Affinity DataKi:  1.37E+4nMAssay Description:Antagonism of carbachol action on nAChR of isolated frog rectus abdominus.More data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 homolog(Mus musculus (Mouse))
Universit£ Paris-Saclay

Curated by ChEMBL
LigandPNGBDBM238177(US9394303, 4)
Show SMILES Cc1nn(-c2ccccc2)c2nc(C)cc(C(O)=O)c12
Show InChI InChI=1S/C15H13N3O2/c1-9-8-12(15(19)20)13-10(2)17-18(14(13)16-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,19,20)
Affinity DataKi:  1.46E+4nM ΔG°:  -6.59kcal/mole IC50: 7.57E+4nMpH: 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
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