BDBM50397473 CHEMBL2171009

SMILES: CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(c3)C(C)(C)C)cc2)-c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=XFZLTUZBMRXPBL-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 = 50397473   

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))	BDBM50397473 (CHEMBL2171009) Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(c3)C(C)(C)C)cc2)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C47H58ClN7O3S/c1-34-43(46(56)49-22-9-23-53-26-24-51(5)25-27-53)44(45(52(34)6)35-14-16-38(48)17-15-35)36-10-7-12-41(32-36)55-30-28-54(29-31-55)40-20-18-39(19-21-40)50-59(57,58)42-13-8-11-37(33-42)47(2,3)4/h7-8,10-21,32-33,50H,9,22-31H2,1-6H3,(H,49,56)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	494	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))	BDBM50397473 (CHEMBL2171009) Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(c3)C(C)(C)C)cc2)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C47H58ClN7O3S/c1-34-43(46(56)49-22-9-23-53-26-24-51(5)25-27-53)44(45(52(34)6)35-14-16-38(48)17-15-35)36-10-7-12-41(32-36)55-30-28-54(29-31-55)40-20-18-39(19-21-40)50-59(57,58)42-13-8-11-37(33-42)47(2,3)4/h7-8,10-21,32-33,50H,9,22-31H2,1-6H3,(H,49,56)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+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