BDBM50424207 CHEMBL2312472

SMILES: CCCCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34

InChI Key: InChIKey=KAVJRUFVDNKWQL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50424207   

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-like protein 1 (Homo sapiens (Human))	BDBM50424207 (CHEMBL2312472) Show SMILES CCCCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34 Show InChI InChI=1S/C27H26N2O2S/c1-3-4-5-6-16-28-26-24-20-14-15-22(32-18-12-10-17(31-2)11-13-18)19-8-7-9-21(23(19)20)25(24)29-27(26)30/h7-15H,3-6,16H2,1-2H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA				Bioorg Med Chem 21: 11-20 (2012) Article DOI: 10.1016/j.bmc.2012.11.008 BindingDB Entry DOI: 10.7270/Q25X2B7H
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424207 (CHEMBL2312472) Show SMILES CCCCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34 Show InChI InChI=1S/C27H26N2O2S/c1-3-4-5-6-16-28-26-24-20-14-15-22(32-18-12-10-17(31-2)11-13-18)19-8-7-9-21(23(19)20)25(24)29-27(26)30/h7-15H,3-6,16H2,1-2H3,(H,28,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA				Bioorg Med Chem 21: 11-20 (2012) Article DOI: 10.1016/j.bmc.2012.11.008 BindingDB Entry DOI: 10.7270/Q25X2B7H
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50424207 (CHEMBL2312472) Show SMILES CCCCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34 Show InChI InChI=1S/C27H26N2O2S/c1-3-4-5-6-16-28-26-24-20-14-15-22(32-18-12-10-17(31-2)11-13-18)19-8-7-9-21(23(19)20)25(24)29-27(26)30/h7-15H,3-6,16H2,1-2H3,(H,28,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA				Bioorg Med Chem 21: 11-20 (2012) Article DOI: 10.1016/j.bmc.2012.11.008 BindingDB Entry DOI: 10.7270/Q25X2B7H
					More data for this Ligand-Target Pair