BDBM50511139 CHEMBL4454113

SMILES: CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCc2cccc(O)c2)cc1C(O)=O

InChI Key: InChIKey=OUPRMABVNATKCH-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 = 50511139   

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
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511139 (CHEMBL4454113) Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCc2cccc(O)c2)cc1C(O)=O Show InChI InChI=1S/C29H35N3O5S2/c1-29(2,3)22-7-9-23(10-8-22)31-14-16-32(17-15-31)39(36,37)30-27-12-11-25(20-26(27)28(34)35)38-18-13-21-5-4-6-24(33)19-21/h4-12,19-20,30,33H,13-18H2,1-3H3,(H,34,35)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511139 (CHEMBL4454113) Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCc2cccc(O)c2)cc1C(O)=O Show InChI InChI=1S/C29H35N3O5S2/c1-29(2,3)22-7-9-23(10-8-22)31-14-16-32(17-15-31)39(36,37)30-27-12-11-25(20-26(27)28(34)35)38-18-13-21-5-4-6-24(33)19-21/h4-12,19-20,30,33H,13-18H2,1-3H3,(H,34,35)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442
					More data for this Ligand-Target Pair