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BDBM50424732 CHEMBL2314209

SMILES: Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl

InChI Key: InChIKey=MCMWRWKXPXXZAS-UHFFFAOYSA-N

Data: 6 KI

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50424732
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424732 (CHEMBL2314209) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after...				J Med Chem 59: 2054-66 (2016) BindingDB Entry DOI: 10.7270/Q2F191MW
Vanderbilt University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424732 (CHEMBL2314209) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
Vanderbilt University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424732 (CHEMBL2314209) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univiversit� Curated by ChEMBL					Assay Description Inhibition of Mcl1 (unknown origin) by fluorescence polarization assay				J Med Chem 63: 928-943 (2020) Article DOI: 10.1021/acs.jmedchem.9b00983
Normandie Univiversit� Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50424732 (CHEMBL2314209) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
Vanderbilt University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424732 (CHEMBL2314209) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunan University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of His6-tagged MCL1 (unknown origin) incubated for 0.5 hrs in presence of 1% FBS by TR-FRET assay				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111691
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50424732 (CHEMBL2314209) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl-xL (unknown origin) after 1 hr by fluorescence polarization anisotropy assay				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
Vanderbilt University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair