BDBM50158177 CHEMBL3780094::US10858316, Compound 3x

SMILES: Cc1ccc(NS(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc1

InChI Key: InChIKey=ONHURQQWIIHOBL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50158177   

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))	BDBM50158177 (CHEMBL3780094 | US10858316, Compound 3x) Show SMILES Cc1ccc(NS(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc1 Show InChI InChI=1S/C18H15NO5S/c1-11-6-8-12(9-7-11)19-25(23,24)16-10-15(18(21)22)17(20)14-5-3-2-4-13(14)16/h2-10,19-20H,1H3,(H,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.43E+4	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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158177 (CHEMBL3780094 | US10858316, Compound 3x) Show SMILES Cc1ccc(NS(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc1 Show InChI InChI=1S/C18H15NO5S/c1-11-6-8-12(9-7-11)19-25(23,24)16-10-15(18(21)22)17(20)14-5-3-2-4-13(14)16/h2-10,19-20H,1H3,(H,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.43E+4	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