BDBM50397470 CHEMBL2171011

SMILES: CCOc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1

InChI Key: InChIKey=VBGKQFHKGVVBBW-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50397470   

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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50397470 (CHEMBL2171011) Show SMILES CCOc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C45H54ClN7O4S/c1-5-57-40-11-7-12-41(32-40)58(55,56)48-37-17-19-38(20-18-37)52-27-29-53(30-28-52)39-10-6-9-35(31-39)43-42(33(2)50(4)44(43)34-13-15-36(46)16-14-34)45(54)47-21-8-22-51-25-23-49(3)24-26-51/h6-7,9-20,31-32,48H,5,8,21-30H2,1-4H3,(H,47,54)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay				J Med Chem 55: 8502-14 (2012) Article DOI: 10.1021/jm3010306 BindingDB Entry DOI: 10.7270/Q2V69KQ9
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50397470 (CHEMBL2171011) Show SMILES CCOc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C45H54ClN7O4S/c1-5-57-40-11-7-12-41(32-40)58(55,56)48-37-17-19-38(20-18-37)52-27-29-53(30-28-52)39-10-6-9-35(31-39)43-42(33(2)50(4)44(43)34-13-15-36(46)16-14-34)45(54)47-21-8-22-51-25-23-49(3)24-26-51/h6-7,9-20,31-32,48H,5,8,21-30H2,1-4H3,(H,47,54)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay				J Med Chem 55: 8502-14 (2012) Article DOI: 10.1021/jm3010306 BindingDB Entry DOI: 10.7270/Q2V69KQ9
					More data for this Ligand-Target Pair