BDBM50158324 CHEMBL3780311::US10858316, Compound 3be

SMILES: OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2cccc(Br)c2)cc1

InChI Key: InChIKey=NRCLFNVQEKEPBV-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 = 50158324   

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))	BDBM50158324 (CHEMBL3780311 | US10858316, Compound 3be) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2cccc(Br)c2)cc1 Show InChI InChI=1S/C23H16BrNO6S/c24-14-4-3-5-17(12-14)31-16-10-8-15(9-11-16)25-32(29,30)21-13-20(23(27)28)22(26)19-7-2-1-6-18(19)21/h1-13,25-26H,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	114	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))	BDBM50158324 (CHEMBL3780311 | US10858316, Compound 3be) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2cccc(Br)c2)cc1 Show InChI InChI=1S/C23H16BrNO6S/c24-14-4-3-5-17(12-14)31-16-10-8-15(9-11-16)25-32(29,30)21-13-20(23(27)28)22(26)19-7-2-1-6-18(19)21/h1-13,25-26H,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	114	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))	BDBM50158324 (CHEMBL3780311 | US10858316, Compound 3be) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2cccc(Br)c2)cc1 Show InChI InChI=1S/C23H16BrNO6S/c24-14-4-3-5-17(12-14)31-16-10-8-15(9-11-16)25-32(29,30)21-13-20(23(27)28)22(26)19-7-2-1-6-18(19)21/h1-13,25-26H,(H,27,28)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	300	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