BDBM50206528 CHEMBL3981494

SMILES: CCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1

InChI Key: InChIKey=FSGLXWJBJUODHC-RHNUXINZSA-N

Data: 1 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 1 hit for monomerid = 50206528   

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))	BDBM50206528 (CHEMBL3981494) Show SMILES CCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C41H46N4O10S/c1-6-23-53-32-17-9-28(10-18-32)24-36(38(46)43-56(51,52)35-21-15-31(16-22-35)45(49)50)42-39(47)37-25-34(26-44(37)40(48)55-41(3,4)5)54-33-19-13-30(14-20-33)29-11-7-27(2)8-12-29/h7-22,34,36-37H,6,23-26H2,1-5H3,(H,42,47)(H,43,46)/t34-,36-,37-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...				Bioorg Med Chem 25: 138-152 (2017) Article DOI: 10.1016/j.bmc.2016.10.020 BindingDB Entry DOI: 10.7270/Q2P84DWQ
					More data for this Ligand-Target Pair