BDBM50044939 CHEMBL3309283

SMILES: FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)S(=O)(=O)c1ccccc1-c1ccc(Cl)cc1

InChI Key: InChIKey=LWSNCIQBWGAHSS-PGUFJCEWSA-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 = 50044939   

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))	BDBM50044939 (CHEMBL3309283) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)S(=O)(=O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H46ClF3N4O8S4/c46-34-14-10-32(11-15-34)40-8-4-5-9-42(40)63(55,56)38-21-24-53(25-22-38)36-16-12-33(13-17-36)44(54)51-65(59,60)39-18-19-41(43(30-39)64(57,58)45(47,48)49)50-35(20-23-52-26-28-61-29-27-52)31-62-37-6-2-1-3-7-37/h1-19,30,35,38,50H,20-29,31H2,(H,51,54)/t35-/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))	BDBM50044939 (CHEMBL3309283) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)S(=O)(=O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H46ClF3N4O8S4/c46-34-14-10-32(11-15-34)40-8-4-5-9-42(40)63(55,56)38-21-24-53(25-22-38)36-16-12-33(13-17-36)44(54)51-65(59,60)39-18-19-41(43(30-39)64(57,58)45(47,48)49)50-35(20-23-52-26-28-61-29-27-52)31-62-37-6-2-1-3-7-37/h1-19,30,35,38,50H,20-29,31H2,(H,51,54)/t35-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	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