Found 2451 hits of ic50 data for polymerid = 3890,3929 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50508939
(CHEMBL4443085)Show SMILES Cc1cc(CSCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c([nH]c23)C(O)=O)nn1C |(21.19,-26.33,;22.68,-25.93,;23.37,-24.56,;24.9,-24.79,;25.99,-23.71,;27.47,-24.11,;28.56,-23.02,;30.05,-23.42,;30.52,-24.88,;32.06,-24.88,;32.84,-26.21,;32.54,-23.42,;34.03,-23.02,;31.29,-22.51,;31.29,-20.97,;29.96,-20.21,;29.96,-18.67,;31.29,-17.89,;32.62,-18.66,;34.09,-18.19,;34.49,-16.7,;35.97,-16.3,;36.37,-14.82,;37.86,-14.42,;38.26,-12.93,;37.17,-11.83,;37.57,-10.35,;39.06,-9.95,;40.14,-11.03,;41.62,-10.63,;42.72,-11.71,;42.34,-13.2,;40.85,-13.61,;39.75,-12.52,;34.99,-19.43,;34.09,-20.68,;32.62,-20.2,;36.53,-19.43,;37.3,-20.76,;37.3,-18.1,;25.13,-26.32,;23.76,-27.02,;23.36,-28.5,)| Show InChI InChI=1S/C34H35N5O3S/c1-21-18-24(36-38(21)3)19-43-20-29-31(22(2)39(4)37-29)28-14-8-13-26-27(33(34(40)41)35-32(26)28)15-9-17-42-30-16-7-11-23-10-5-6-12-25(23)30/h5-8,10-14,16,18,35H,9,15,17,19-20H2,1-4H3,(H,40,41) | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.0420 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127717 BindingDB Entry DOI: 10.7270/Q2MW2N34 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50587703
(CHEMBL5174729)Show SMILES [H][C@]12CC[C@@]1([H])[C@@H](OC)\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10| | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01473 BindingDB Entry DOI: 10.7270/Q2QN6BRZ |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514199
(CHEMBL4553660 | US11274105, Example 182)Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CCOCC1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:18| Show InChI InChI=1S/C41H56ClN5O8S/c1-44(2)56(51,52)43-39(49)41(50)25-38(48)45(3)16-5-4-8-36(54-22-19-46-17-20-53-21-18-46)33-12-9-30(33)26-47-27-40(28-55-37-14-10-31(41)24-35(37)47)15-6-7-29-23-32(42)11-13-34(29)40/h4,8,10-11,13-14,23-24,30,33,36,50H,5-7,9,12,15-22,25-28H2,1-3H3,(H,43,49)/b8-4+/t30-,33+,36-,40-,41+/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514220
(CHEMBL4535151 | US11274105, Example 188)Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCC(=O)N(C)C)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:15| Show InChI InChI=1S/C39H52ClN5O8S/c1-42(2)36(47)23-52-33-10-6-7-18-44(5)35(46)21-39(49,37(48)41-54(50,51)43(3)4)28-12-16-34-32(20-28)45(22-27-11-14-30(27)33)24-38(25-53-34)17-8-9-26-19-29(40)13-15-31(26)38/h6,10,12-13,15-16,19-20,27,30,33,49H,7-9,11,14,17-18,21-25H2,1-5H3,(H,41,48)/b10-6+/t27-,30+,33-,38-,39+/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514222
(CHEMBL4580244 | US11274105, Example 193)Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CCS(=O)(=O)CC1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:20| Show InChI InChI=1S/C41H56ClN5O9S2/c1-44(2)58(53,54)43-39(49)41(50)25-38(48)45(3)16-5-4-8-36(55-20-17-46-18-21-57(51,52)22-19-46)33-12-9-30(33)26-47-27-40(28-56-37-14-10-31(41)24-35(37)47)15-6-7-29-23-32(42)11-13-34(29)40/h4,8,10-11,13-14,23-24,30,33,36,50H,5-7,9,12,15-22,25-28H2,1-3H3,(H,43,49)/b8-4+/t30-,33+,36-,40-,41+/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514218
(CHEMBL4539543 | US11274105, Example 197)Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CC(C1)OC)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:18| Show InChI InChI=1S/C41H56ClN5O8S/c1-44(2)56(51,52)43-39(49)41(50)22-38(48)45(3)17-6-5-9-36(54-19-18-46-24-32(25-46)53-4)33-13-10-29(33)23-47-26-40(27-55-37-15-11-30(41)21-35(37)47)16-7-8-28-20-31(42)12-14-34(28)40/h5,9,11-12,14-15,20-21,29,32-33,36,50H,6-8,10,13,16-19,22-27H2,1-4H3,(H,43,49)/b9-5+/t29-,33+,36-,40-,41+/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514202
(CHEMBL4446369 | US11274105, Example 179)Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CC(F)(F)C1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:18| Show InChI InChI=1S/C40H52ClF2N5O7S/c1-45(2)56(52,53)44-37(50)40(51)21-36(49)46(3)16-5-4-8-34(54-18-17-47-24-39(42,43)25-47)31-12-9-28(31)22-48-23-38(26-55-35-14-10-29(40)20-33(35)48)15-6-7-27-19-30(41)11-13-32(27)38/h4,8,10-11,13-14,19-20,28,31,34,51H,5-7,9,12,15-18,21-26H2,1-3H3,(H,44,50)/b8-4+/t28-,31+,34-,38-,40+/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514216
(CHEMBL4528051 | US11274105, Example 5)Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10| Show InChI InChI=1S/C36H47ClN4O7S/c1-39(2)49(45,46)38-34(43)36(44)20-33(42)40(3)17-6-5-9-31(47-4)28-13-10-25(28)21-41-22-35(23-48-32-15-11-26(36)19-30(32)41)16-7-8-24-18-27(37)12-14-29(24)35/h5,9,11-12,14-15,18-19,25,28,31,44H,6-8,10,13,16-17,20-23H2,1-4H3,(H,38,43)/b9-5+/t25-,28+,31-,35-,36+/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514200
(CHEMBL4446378 | US10703733, Comparative Example 1)Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10| Show InChI InChI=1S/C33H41ClN2O5S/c1-21-6-4-8-30(40-3)27-12-9-25(27)18-36-19-33(15-5-7-23-16-26(34)11-13-28(23)33)20-41-31-14-10-24(17-29(31)36)32(37)35-42(38,39)22(21)2/h4,8,10-11,13-14,16-17,21-22,25,27,30H,5-7,9,12,15,18-20H2,1-3H3,(H,35,37)/b8-4+/t21-,22+,25-,27+,30-,33-/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514224
(CHEMBL4464768)Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCNCC(F)(F)CO)\C=C\CCN(C)C(=O)C[C@@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:18| Show InChI InChI=1S/C40H54ClF2N5O8S/c1-46(2)57(53,54)45-37(51)40(52)21-36(50)47(3)17-5-4-8-34(55-18-16-44-23-39(42,43)25-49)31-12-9-28(31)22-48-24-38(26-56-35-14-10-29(40)20-33(35)48)15-6-7-27-19-30(41)11-13-32(27)38/h4,8,10-11,13-14,19-20,28,31,34,44,49,52H,5-7,9,12,15-18,21-26H2,1-3H3,(H,45,51)/b8-4+/t28-,31+,34-,38-,40-/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514219
(CHEMBL4438074 | US11274105, Example 181)Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CC(F)C1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:17| Show InChI InChI=1S/C40H53ClFN5O7S/c1-44(2)55(51,52)43-38(49)40(50)21-37(48)45(3)16-5-4-8-35(53-18-17-46-23-31(42)24-46)32-12-9-28(32)22-47-25-39(26-54-36-14-10-29(40)20-34(36)47)15-6-7-27-19-30(41)11-13-33(27)39/h4,8,10-11,13-14,19-20,28,31-32,35,50H,5-7,9,12,15-18,21-26H2,1-3H3,(H,43,49)/b8-4+/t28-,32+,35-,39-,40+/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544485
((rac)-12-ethyl-13-fluoro-1-(3-((6-fluoronaphthalen...)Show SMILES CCc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c-2c34)nn1C | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514204
(CHEMBL4437832)Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](O)\C=C\CCCN(C)C(=O)C[C@](O)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:9| Show InChI InChI=1S/C34H41ClN2O6/c1-36-15-4-2-3-7-29(38)26-11-8-23(26)19-37-20-33(14-5-6-22-16-25(35)10-12-27(22)33)21-43-30-13-9-24(17-28(30)37)34(42,32(40)41)18-31(36)39/h3,7,9-10,12-13,16-17,23,26,29,38,42H,2,4-6,8,11,14-15,18-21H2,1H3,(H,40,41)/b7-3+/t23-,26+,29-,33-,34+/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514206
(CHEMBL4588330 | US11274105, Example 187)Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCCN1CC(F)(F)C1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:19| Show InChI InChI=1S/C41H54ClF2N5O7S/c1-46(2)57(53,54)45-38(51)41(52)22-37(50)47(3)17-5-4-9-35(55-19-7-18-48-25-40(43,44)26-48)32-13-10-29(32)23-49-24-39(27-56-36-15-11-30(41)21-34(36)49)16-6-8-28-20-31(42)12-14-33(28)39/h4,9,11-12,14-15,20-21,29,32,35,52H,5-8,10,13,16-19,22-27H2,1-3H3,(H,45,51)/b9-4+/t29-,32+,35-,39-,41+/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514215
(CHEMBL4577379 | US11274105, Example 4)Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10| Show InChI InChI=1S/C34H41ClN2O6/c1-36-15-4-3-7-29(42-2)26-11-8-23(26)19-37-20-33(14-5-6-22-16-25(35)10-12-27(22)33)21-43-30-13-9-24(17-28(30)37)34(41,32(39)40)18-31(36)38/h3,7,9-10,12-13,16-17,23,26,29,41H,4-6,8,11,14-15,18-21H2,1-2H3,(H,39,40)/b7-3+/t23-,26+,29-,33-,34+/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544485
((rac)-12-ethyl-13-fluoro-1-(3-((6-fluoronaphthalen...)Show SMILES CCc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c-2c34)nn1C | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514201
(CHEMBL4547370 | US11274105, Example 191)Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCOCC(F)F)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:16| Show InChI InChI=1S/C39H51ClF2N4O8S/c1-44(2)55(50,51)43-37(48)39(49)21-36(47)45(3)16-5-4-8-33(53-18-17-52-23-35(41)42)30-12-9-27(30)22-46-24-38(25-54-34-14-10-28(39)20-32(34)46)15-6-7-26-19-29(40)11-13-31(26)38/h4,8,10-11,13-14,19-20,27,30,33,35,49H,5-7,9,12,15-18,21-25H2,1-3H3,(H,43,48)/b8-4+/t27-,30+,33-,38-,39+/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514214
(CHEMBL4542646 | US11274105, Example 41)Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](O)\C=C\CCN(C)C(=O)C[C@](O)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:9| Show InChI InChI=1S/C33H39ClN2O6/c1-35-14-3-2-6-28(37)25-10-7-22(25)18-36-19-32(13-4-5-21-15-24(34)9-11-26(21)32)20-42-29-12-8-23(16-27(29)36)33(41,31(39)40)17-30(35)38/h2,6,8-9,11-12,15-16,22,25,28,37,41H,3-5,7,10,13-14,17-20H2,1H3,(H,39,40)/b6-2+/t22-,25+,28-,32-,33+/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM333146
(Compound I | US10196404, Example 1 | US10196404, E...)Show SMILES Cc1c-2c(CSCc3cc(CSc4cc(OCCCc5c(C(O)=O)n(C)c6c-2c(Cl)ccc56)c2ccccc2c4)n(C)n3)nn1C Show InChI InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43) | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127717 BindingDB Entry DOI: 10.7270/Q2MW2N34 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50519618
(CHEMBL4465718)Show SMILES [H][C@@]12CC[C@H]1CN1C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc13)C(=O)NS(=O)(=O)[C@H](C)CCCC[C@@H]2O |r| Show InChI InChI=1S/C31H39ClN2O5S/c1-20-5-2-3-7-28(35)25-11-8-23(25)17-34-18-31(14-4-6-21-15-24(32)10-12-26(21)31)19-39-29-13-9-22(16-27(29)34)30(36)33-40(20,37)38/h9-10,12-13,15-16,20,23,25,28,35H,2-8,11,14,17-19H2,1H3,(H,33,36)/t20-,23+,25-,28+,31+/m1/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50519618
(CHEMBL4465718)Show SMILES [H][C@@]12CC[C@H]1CN1C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc13)C(=O)NS(=O)(=O)[C@H](C)CCCC[C@@H]2O |r| Show InChI InChI=1S/C31H39ClN2O5S/c1-20-5-2-3-7-28(35)25-11-8-23(25)17-34-18-31(14-4-6-21-15-24(32)10-12-26(21)31)19-39-29-13-9-22(16-27(29)34)30(36)33-40(20,37)38/h9-10,12-13,15-16,20,23,25,28,35H,2-8,11,14,17-19H2,1H3,(H,33,36)/t20-,23+,25-,28+,31+/m1/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127717 BindingDB Entry DOI: 10.7270/Q2MW2N34 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM333146
(Compound I | US10196404, Example 1 | US10196404, E...)Show SMILES Cc1c-2c(CSCc3cc(CSc4cc(OCCCc5c(C(O)=O)n(C)c6c-2c(Cl)ccc56)c2ccccc2c4)n(C)n3)nn1C Show InChI InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43) | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Fluor 647-labeled Bim peptide C binding to human N-terminal GST-tagged-Mcl-1 expressed in Escherichia coli incubated for 120 to 180 min... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00690 BindingDB Entry DOI: 10.7270/Q2HD80JM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544517
((rac)-3-ethyl-4-fluoro-2,14-dimethyl-7-[3-(1-napht...)Show SMILES CCc1c-2c(CN(C)CCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c-2c34)nn1C | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514203
(CHEMBL4593361 | US11274105, Example 6)Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(C)(=O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10| Show InChI InChI=1S/C35H44ClN3O7S/c1-38-16-5-4-8-30(45-2)27-12-9-24(27)20-39-21-34(15-6-7-23-17-26(36)11-13-28(23)34)22-46-31-14-10-25(18-29(31)39)35(42,19-32(38)40)33(41)37-47(3,43)44/h4,8,10-11,13-14,17-18,24,27,30,42H,5-7,9,12,15-16,19-22H2,1-3H3,(H,37,41)/b8-4+/t24-,27+,30-,34-,35+/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544502
((rac)-12-ethyl-13-fluoro-1-(3-((6-fluoronaphthalen...)Show SMILES CCc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c(-c12)c34 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544511
((rac)-4-fluoro-2,3-dimethyl-7-[3-(1-naphthyloxy)pr...)Show SMILES Cc1c-2c(CNCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c-2c34)nn1C | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544513
(8-carboxy-4-fluoro-2,3,14,14-tetramethyl-7-[3-(1-n...)Show SMILES Cc1c-2c(C[N+](C)(C)CCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c-2c34)nn1C | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544476
((rac)-13-fluoro-1-(3-((6-fluoronaphthalen-1-yl)oxy...)Show SMILES Cc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c-2c34)nn1C | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544485
((rac)-12-ethyl-13-fluoro-1-(3-((6-fluoronaphthalen...)Show SMILES CCc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c-2c34)nn1C | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.860 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544514
((rac)-7-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-3...)Show SMILES CCc1c-2c(CN(C)CCCCn3c(C(O)=O)c(CCCOc4cccc5CCCc45)c4ccc(F)c-2c34)nn1C | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544516
((rac)-3-ethyl-4-fluoro-7-{3-[(6-fluoro-1-naphthyho...)Show SMILES CCc1c-2c(CN(C)CCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c-2c34)nn1C | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50160014
(CHEMBL3785866)Show SMILES Cc1n[nH]c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccc(o1)C(O)=O |(-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,;-3.45,1.38,;-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,-9.78,;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,;8.76,2.91,;9.06,4.42,;7.72,5.17,;6.59,4.13,;7.54,6.7,;8.52,7.44,;6.4,7.18,)| Show InChI InChI=1S/C30H28Cl2N4O7S/c1-14-12-18(13-15(2)26(14)32)42-11-5-6-19-20-7-8-21(31)25(24-16(3)34-35-17(24)4)27(20)33-28(19)29(37)36-44(40,41)23-10-9-22(43-23)30(38)39/h7-10,12-13,33H,5-6,11H2,1-4H3,(H,34,35)(H,36,37)(H,38,39) | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of mixture of 4- and 5-(N-(7-(1-(2-((6-(3-carboxy-4-(6-hydroxy-3-oxo-3Hxanthen-9-yl)benzamido)hexyl)amino)-2-oxoethyl)-3,5-dimethyl-1H-p... |
J Med Chem 59: 2054-66 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01660 BindingDB Entry DOI: 10.7270/Q2F191MW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544465
((rac)-3-ethyl-4-fluoro-2-methyl-7-[3-(naphthalen-1...)Show SMILES CCc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c-2c34)nn1C | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.970 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544476
((rac)-13-fluoro-1-(3-((6-fluoronaphthalen-1-yl)oxy...)Show SMILES Cc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c-2c34)nn1C | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514207
(CHEMBL4562159)Show SMILES [H][C@@]12CC[C@@]1([H])[C@H](CCCCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1)OC |r| Show InChI InChI=1S/C36H49ClN4O7S/c1-39(2)49(45,46)38-34(43)36(44)20-33(42)40(3)17-6-5-9-31(47-4)28-13-10-25(28)21-41-22-35(23-48-32-15-11-26(36)19-30(32)41)16-7-8-24-18-27(37)12-14-29(24)35/h11-12,14-15,18-19,25,28,31,44H,5-10,13,16-17,20-23H2,1-4H3,(H,38,43)/t25-,28+,31-,35-,36+/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM380456
(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- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
| Assay Description A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b... |
Bioorg Med Chem Lett 18: 2793-8 (2008)
BindingDB Entry DOI: 10.7270/Q2QV3PTX |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544502
((rac)-12-ethyl-13-fluoro-1-(3-((6-fluoronaphthalen...)Show SMILES CCc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c(-c12)c34 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544505
((rac)-12-ethyl-13-fluoro-1-(3-((4-fluoronaphthalen...)Show SMILES CCc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4ccc(F)c5ccccc45)c4ccc(F)c(-c12)c34 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514217
(CHEMBL4452794 | US11274105, Example 196)Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CCC(F)(F)CC1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:20| Show InChI InChI=1S/C42H56ClF2N5O7S/c1-47(2)58(54,55)46-39(52)42(53)25-38(51)48(3)18-5-4-8-36(56-22-21-49-19-16-41(44,45)17-20-49)33-12-9-30(33)26-50-27-40(28-57-37-14-10-31(42)24-35(37)50)15-6-7-29-23-32(43)11-13-34(29)40/h4,8,10-11,13-14,23-24,30,33,36,53H,5-7,9,12,15-22,25-28H2,1-3H3,(H,46,52)/b8-4+/t30-,33+,36-,40-,42+/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544474
((rac)-13-fluoro-10,12-dimethyl-1-(3-(naphthalen-1-...)Show SMILES Cc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c(-c12)c34 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544465
((rac)-3-ethyl-4-fluoro-2-methyl-7-[3-(naphthalen-1...)Show SMILES CCc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c-2c34)nn1C | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544496
((rac)-13-fluoro-1-(3-((6-fluoronaphthalen-1-yl)oxy...)Show SMILES Cc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c(-c12)c34 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50587661
(CHEMBL5200558)Show SMILES Cc1ccccc1-c1cccc2c(CCCOc3cccc4CCCCc34)c([nH]c12)C(O)=O | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127717 BindingDB Entry DOI: 10.7270/Q2MW2N34 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM380458
(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- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.16 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
| Assay Description A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction b... |
Bioorg Med Chem Lett 18: 2793-8 (2008)
BindingDB Entry DOI: 10.7270/Q2QV3PTX |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544460
((rac)-4-fluoro-2,3-dimethyl-7-[3-(naphthalen-1-ylo...)Show SMILES Cc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c-2c34)nn1C | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544501
((rac)-12-ethyl-13-fluoro-10-methyl-1-(3-(naphthale...)Show SMILES CCc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c(-c12)c34 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544479
((rac)-13-fluoro-1-(3-((4-fluoronaphthalen-1-yl)oxy...)Show SMILES Cc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4ccc(F)c5ccccc45)c4ccc(F)c-2c34)nn1C | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544460
((rac)-4-fluoro-2,3-dimethyl-7-[3-(naphthalen-1-ylo...)Show SMILES Cc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c-2c34)nn1C | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50514208
(CHEMBL4469850 | US11274105, Example 61)Show SMILES [H][C@@]12CC[C@@]1([H])[C@@H](O)\C=C\CCN(C)C(=O)C[C@](OC)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:9| Show InChI InChI=1S/C34H41ClN2O6/c1-36-15-4-3-7-29(38)26-11-8-23(26)19-37-20-33(14-5-6-22-16-25(35)10-12-27(22)33)21-43-30-13-9-24(17-28(30)37)34(42-2,32(40)41)18-31(36)39/h3,7,9-10,12-13,16-17,23,26,29,38H,4-6,8,11,14-15,18-21H2,1-2H3,(H,40,41)/b7-3+/t23-,26+,29-,33-,34+/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub... |
J Med Chem 62: 10258-10271 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01310 BindingDB Entry DOI: 10.7270/Q2TQ64WW |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM544498
((rac)-13-fluoro-10,12-dimethyl-1-(3-((5,6,7,8-tetr...)Show SMILES Cc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5CCCCc45)c4ccc(F)c(-c12)c34 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7MWD |
More data for this Ligand-Target Pair | |