BDBM50514200 CHEMBL4446378::US10703733, Comparative Example 1
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
InChI Key: InChIKey=JQNINBDKGLWYMU-GEAQBIRJSA-N
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 |
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Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM50514200 (CHEMBL4446378 | US10703733, Comparative Example 1) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University Curated by ChEMBL | Assay Description Inhibition of human Biotin-DMRPEIWIAQELRRIGDEFNAYYARR peptide binding to 6XHis-tagged human MCl-1 (171 to 327 residues) expressed in Escherichia coli... | Eur J Med Chem 177: 63-75 (2019) Article DOI: 10.1016/j.ejmech.2019.05.019 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM50514200 (CHEMBL4446378 | US10703733, Comparative Example 1) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | 0.0760 | n/a | n/a | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcl-xL/Bcl-2-binding component 3 (Homo sapiens (Human)) | BDBM50514200 (CHEMBL4446378 | US10703733, Comparative Example 1) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University Curated by ChEMBL | Assay Description Inhibition of human Biotin-DMRPEIWIAQELRRIGDEFNAYYARR peptide binding to Bcl-xL (unknown origin) after 120 mins by fluorescence polarization assay | Eur J Med Chem 177: 63-75 (2019) Article DOI: 10.1016/j.ejmech.2019.05.019 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptosis regulator Bcl-2 (Homo sapiens (Human)) | BDBM50514200 (CHEMBL4446378 | US10703733, Comparative Example 1) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | 950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University Curated by ChEMBL | Assay Description Inhibition of human Biotin-DMRPEIWIAQELRRIGDEFNAYYARR peptide binding to recombinant 10His-tagged human Bcl2 (2 to 211 residues) expressed in Escheri... | Eur J Med Chem 177: 63-75 (2019) Article DOI: 10.1016/j.ejmech.2019.05.019 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mcl-1/BIM (Homo sapiens (Human)) | BDBM50514200 (CHEMBL4446378 | US10703733, Comparative Example 1) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | US Patent | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc. US Patent | Assay Description The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171... | US Patent US10703733 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcl-xL/Bcl-2-binding component 3 (Homo sapiens (Human)) | BDBM50514200 (CHEMBL4446378 | US10703733, Comparative Example 1) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.42E+3 | 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 Bcl-xL (1 to 196 residues) expressed in Escherichia coli cells interaction with biotinylated ... | J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptosis regulator Bcl-2 (Homo sapiens (Human)) | BDBM50514200 (CHEMBL4446378 | US10703733, Comparative Example 1) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of recombinant C-terminal His10x-tagged human Bcl-2 (2 to 211 residues) expressed in Escherichia coli cells interaction with biotinylated ... | J Med Chem 62: 10258-10271 (2019) Article DOI: 10.1021/acs.jmedchem.9b01310 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM50514200 (CHEMBL4446378 | US10703733, Comparative Example 1) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase 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 | |||||||||||
More data for this Ligand-Target Pair |