BDBM50424218 CHEMBL2312479

SMILES: O=c1nc2c3cccc4c(ccc(c2c1NCc1ccccc1)c34)N1CCSCC1

InChI Key: InChIKey=MMWKBXDPQOBTNO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50424218   

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))	BDBM50424218 (CHEMBL2312479) Show SMILES O=c1nc2c3cccc4c(ccc(c2c1NCc1ccccc1)c34)N1CCSCC1 Show InChI InChI=1S/C25H21N3OS/c29-25-24(26-15-16-5-2-1-3-6-16)22-18-9-10-20(28-11-13-30-14-12-28)17-7-4-8-19(21(17)18)23(22)27-25/h1-10H,11-15H2,(H,26,27,29)	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	521	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))	BDBM50424218 (CHEMBL2312479) Show SMILES O=c1nc2c3cccc4c(ccc(c2c1NCc1ccccc1)c34)N1CCSCC1 Show InChI InChI=1S/C25H21N3OS/c29-25-24(26-15-16-5-2-1-3-6-16)22-18-9-10-20(28-11-13-30-14-12-28)17-7-4-8-19(21(17)18)23(22)27-25/h1-10H,11-15H2,(H,26,27,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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