BDBM50206478 CHEMBL3899305

SMILES: CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=LCAXNJPLIYDORQ-LUYPYDKDSA-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 = 50206478   

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))	BDBM50206478 (CHEMBL3899305) Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C44H42BrClN4O10S/c1-44(2,3)60-43(53)49-26-35(59-34-19-13-31(14-20-34)30-7-5-4-6-8-30)24-40(49)42(52)47-38(41(51)48-61(56,57)36-21-22-37(46)39(25-36)50(54)55)23-28-11-17-33(18-12-28)58-27-29-9-15-32(45)16-10-29/h4-22,25,35,38,40H,23-24,26-27H2,1-3H3,(H,47,52)(H,48,51)/t35-,38-,40-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50206478 (CHEMBL3899305) Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C44H42BrClN4O10S/c1-44(2,3)60-43(53)49-26-35(59-34-19-13-31(14-20-34)30-7-5-4-6-8-30)24-40(49)42(52)47-38(41(51)48-61(56,57)36-21-22-37(46)39(25-36)50(54)55)23-28-11-17-33(18-12-28)58-27-29-9-15-32(45)16-10-29/h4-22,25,35,38,40H,23-24,26-27H2,1-3H3,(H,47,52)(H,48,51)/t35-,38-,40-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	680	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 Bcl-2 (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