BDBM50160018 CHEMBL3785155::US10093640, Example 226::US10844032, Example 226

SMILES: Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)C2CCCCC2)cc(C)c1Cl

InChI Key: InChIKey=NEPGYBYFRTXHOG-UHFFFAOYSA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50160018   

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))	BDBM50160018 (CHEMBL3785155 | US10093640, Example 226 | US108440...) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)C2CCCCC2)cc(C)c1Cl Show InChI InChI=1S/C29H35Cl2N3O5S/c1-18-15-22(16-19(2)26(18)31)39-13-6-9-24-23-11-10-21(30)17-25(23)33-27(24)29(36)34-40(37,38)14-12-32-28(35)20-7-4-3-5-8-20/h10-11,15-17,20,33H,3-9,12-14H2,1-2H3,(H,32,35)(H,34,36)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (aa 172-327) (Homo sapiens (Human))	BDBM50160018 (CHEMBL3785155 | US10093640, Example 226 | US108440...) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)C2CCCCC2)cc(C)c1Cl Show InChI InChI=1S/C29H35Cl2N3O5S/c1-18-15-22(16-19(2)26(18)31)39-13-6-9-24-23-11-10-21(30)17-25(23)33-27(24)29(36)34-40(37,38)14-12-32-28(35)20-7-4-3-5-8-20/h10-11,15-17,20,33H,3-9,12-14H2,1-2H3,(H,32,35)(H,34,36)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...				US Patent US10844032 (2020)
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50160018 (CHEMBL3785155 | US10093640, Example 226 | US108440...) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)C2CCCCC2)cc(C)c1Cl Show InChI InChI=1S/C29H35Cl2N3O5S/c1-18-15-22(16-19(2)26(18)31)39-13-6-9-24-23-11-10-21(30)17-25(23)33-27(24)29(36)34-40(37,38)14-12-32-28(35)20-7-4-3-5-8-20/h10-11,15-17,20,33H,3-9,12-14H2,1-2H3,(H,32,35)(H,34,36)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair