Found 2 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM50519013' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50519013
![PNG](/data/jpeg/tenK5051/BindingDB_50519013.png) (CHEMBL4452383)Show SMILES CCc1sc2ncnc(N[C@H](Cc3ccccc3OCCN3CCN(C)CC3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:10.10,(40.8,-50.74,;40.03,-49.41,;38.49,-49.41,;37.59,-50.66,;36.12,-50.18,;34.79,-50.96,;33.45,-50.19,;33.45,-48.64,;34.79,-47.87,;34.79,-46.33,;33.45,-45.57,;33.45,-44.03,;32.11,-43.26,;30.79,-44.03,;29.46,-43.27,;29.45,-41.72,;30.79,-40.95,;32.12,-41.72,;33.45,-40.95,;33.46,-39.41,;34.79,-38.64,;36.12,-39.41,;36.11,-40.95,;37.44,-41.72,;38.78,-40.96,;40.11,-41.73,;38.78,-39.41,;37.45,-38.63,;32.12,-46.34,;30.78,-45.57,;32.12,-47.88,;36.12,-48.64,;37.59,-48.16,;38.06,-46.7,;37.03,-45.56,;37.5,-44.1,;39.01,-43.77,;40.04,-44.91,;41.55,-44.59,;39.57,-46.38,;40.6,-47.52,)| Show InChI InChI=1S/C31H36ClN5O3S/c1-4-26-27(22-9-7-10-23(32)20(22)2)28-29(33-19-34-30(28)41-26)35-24(31(38)39)18-21-8-5-6-11-25(21)40-17-16-37-14-12-36(3)13-15-37/h5-11,19,24H,4,12-18H2,1-3H3,(H,38,39)(H,33,34,35)/t24-/m1/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Servier Research Institute of Medicinal Chemistry
Curated by ChEMBL
| Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c... |
J Med Chem 62: 6913-6924 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50519013
![PNG](/data/jpeg/tenK5051/BindingDB_50519013.png) (CHEMBL4452383)Show SMILES CCc1sc2ncnc(N[C@H](Cc3ccccc3OCCN3CCN(C)CC3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:10.10,(40.8,-50.74,;40.03,-49.41,;38.49,-49.41,;37.59,-50.66,;36.12,-50.18,;34.79,-50.96,;33.45,-50.19,;33.45,-48.64,;34.79,-47.87,;34.79,-46.33,;33.45,-45.57,;33.45,-44.03,;32.11,-43.26,;30.79,-44.03,;29.46,-43.27,;29.45,-41.72,;30.79,-40.95,;32.12,-41.72,;33.45,-40.95,;33.46,-39.41,;34.79,-38.64,;36.12,-39.41,;36.11,-40.95,;37.44,-41.72,;38.78,-40.96,;40.11,-41.73,;38.78,-39.41,;37.45,-38.63,;32.12,-46.34,;30.78,-45.57,;32.12,-47.88,;36.12,-48.64,;37.59,-48.16,;38.06,-46.7,;37.03,-45.56,;37.5,-44.1,;39.01,-43.77,;40.04,-44.91,;41.55,-44.59,;39.57,-46.38,;40.6,-47.52,)| Show InChI InChI=1S/C31H36ClN5O3S/c1-4-26-27(22-9-7-10-23(32)20(22)2)28-29(33-19-34-30(28)41-26)35-24(31(38)39)18-21-8-5-6-11-25(21)40-17-16-37-14-12-36(3)13-15-37/h5-11,19,24H,4,12-18H2,1-3H3,(H,38,39)(H,33,34,35)/t24-/m1/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a |
Servier Research Institute of Medicinal Chemistry
Curated by ChEMBL
| Assay Description Binding affinity to TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS cells by Isothermal Titration Calorimetry |
J Med Chem 62: 6913-6924 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH |
More data for this Ligand-Target Pair | |