BDBM50357 3-(1-phenyl-2-benzimidazolyl)propanoic acid [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] ester::3-(1-phenylbenzimidazol-2-yl)propionic acid [2-[4-[ethyl(isopropyl)amino]anilino]-2-keto-ethyl] ester::MLS000389419::SMR000255692::[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate::[2-[[4-[ethyl(propan-2-yl)amino]phenyl]amino]-2-oxidanylidene-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate::cid_4619852

SMILES: CCN(C(C)C)c1ccc(NC(=O)COC(=O)CCc2nc3ccccc3n2-c2ccccc2)cc1

InChI Key: InChIKey=IRVNONKFJGGSCQ-UHFFFAOYSA-N

Data: 1 IC50

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 = 50357   

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))	BDBM50357 (3-(1-phenyl-2-benzimidazolyl)propanoic acid [2-[4-...) Show SMILES CCN(C(C)C)c1ccc(NC(=O)COC(=O)CCc2nc3ccccc3n2-c2ccccc2)cc1 Show InChI InChI=1S/C29H32N4O3/c1-4-32(21(2)3)23-16-14-22(15-17-23)30-28(34)20-36-29(35)19-18-27-31-25-12-8-9-13-26(25)33(27)24-10-6-5-7-11-24/h5-17,21H,4,18-20H2,1-3H3,(H,30,34)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair