BDBM50158326 CHEMBL3781669::US10858316, Compound 3bg

SMILES: OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1

InChI Key: InChIKey=MHLNOPQXHVWPEC-UHFFFAOYSA-N

Data: 3 KI

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 = 50158326   

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))	BDBM50158326 (CHEMBL3781669 | US10858316, Compound 3bg) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C23H15Cl2NO6S/c24-13-5-10-20(19(25)11-13)32-15-8-6-14(7-9-15)26-33(30,31)21-12-18(23(28)29)22(27)17-4-2-1-3-16(17)21/h1-12,26-27H,(H,28,29)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...				Eur J Med Chem 113: 273-92 (2016) BindingDB Entry DOI: 10.7270/Q2HX1FJH
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158326 (CHEMBL3781669 | US10858316, Compound 3bg) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C23H15Cl2NO6S/c24-13-5-10-20(19(25)11-13)32-15-8-6-14(7-9-15)26-33(30,31)21-12-18(23(28)29)22(27)17-4-2-1-3-16(17)21/h1-12,26-27H,(H,28,29)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020)
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) (Homo sapiens (Human))	BDBM50158326 (CHEMBL3781669 | US10858316, Compound 3bg) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C23H15Cl2NO6S/c24-13-5-10-20(19(25)11-13)32-15-8-6-14(7-9-15)26-33(30,31)21-12-18(23(28)29)22(27)17-4-2-1-3-16(17)21/h1-12,26-27H,(H,28,29)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020)
					More data for this Ligand-Target Pair