BDBM50044948 CHEMBL3311494

SMILES: FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ncc(Cl)cn2)CC1

InChI Key: InChIKey=HJWCGHALJJDTGO-UUWRZZSWSA-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 = 50044948   

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))	BDBM50044948 (CHEMBL3311494) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ncc(Cl)cn2)CC1 |r| Show InChI InChI=1S/C43H45ClF3N7O6S3/c44-33-27-48-41(49-28-33)38-9-5-4-6-32(38)29-53-18-20-54(21-19-53)35-12-10-31(11-13-35)42(55)51-63(58,59)37-14-15-39(40(26-37)62(56,57)43(45,46)47)50-34(16-17-52-22-24-60-25-23-52)30-61-36-7-2-1-3-8-36/h1-15,26-28,34,50H,16-25,29-30H2,(H,51,55)/t34-/m1/s1	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	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044948 (CHEMBL3311494) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ncc(Cl)cn2)CC1 |r| Show InChI InChI=1S/C43H45ClF3N7O6S3/c44-33-27-48-41(49-28-33)38-9-5-4-6-32(38)29-53-18-20-54(21-19-53)35-12-10-31(11-13-35)42(55)51-63(58,59)37-14-15-39(40(26-37)62(56,57)43(45,46)47)50-34(16-17-52-22-24-60-25-23-52)30-61-36-7-2-1-3-8-36/h1-15,26-28,34,50H,16-25,29-30H2,(H,51,55)/t34-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair