BDBM50044928 CHEMBL3311330

SMILES: FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=N)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=FOMCTVKMMBAIDT-DIPNUNPCSA-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 = 50044928   

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))	BDBM50044928 (CHEMBL3311330) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=N)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C45H48ClF3N6O5S3/c46-36-14-10-33(11-15-36)41-9-5-4-6-35(41)31-54-22-24-55(25-23-54)38-16-12-34(13-17-38)44(50)52-63(58,59)40-18-19-42(43(30-40)62(56,57)45(47,48)49)51-37(20-21-53-26-28-60-29-27-53)32-61-39-7-2-1-3-8-39/h1-19,30,37,51H,20-29,31-32H2,(H2,50,52)/t37-/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	63	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))	BDBM50044928 (CHEMBL3311330) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=N)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C45H48ClF3N6O5S3/c46-36-14-10-33(11-15-36)41-9-5-4-6-35(41)31-54-22-24-55(25-23-54)38-16-12-34(13-17-38)44(50)52-63(58,59)40-18-19-42(43(30-40)62(56,57)45(47,48)49)51-37(20-21-53-26-28-60-29-27-53)32-61-39-7-2-1-3-8-39/h1-19,30,37,51H,20-29,31-32H2,(H2,50,52)/t37-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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