BDBM50397471 CHEMBL2169898

SMILES: COc1cccc(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=PKYQQOFXDYYXLL-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 = 50397471   

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))	BDBM50397471 (CHEMBL2169898) Show SMILES COc1cccc(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/C44H52ClN7O4S/c1-32-41(44(53)46-20-7-21-50-24-22-48(2)23-25-50)42(43(49(32)3)33-12-14-35(45)15-13-33)34-8-5-9-38(30-34)52-28-26-51(27-29-52)37-18-16-36(17-19-37)47-57(54,55)40-11-6-10-39(31-40)56-4/h5-6,8-19,30-31,47H,7,20-29H2,1-4H3,(H,46,53)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	207	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))	BDBM50397471 (CHEMBL2169898) Show SMILES COc1cccc(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/C44H52ClN7O4S/c1-32-41(44(53)46-20-7-21-50-24-22-48(2)23-25-50)42(43(49(32)3)33-12-14-35(45)15-13-33)34-8-5-9-38(30-34)52-28-26-51(27-29-52)37-18-16-36(17-19-37)47-57(54,55)40-11-6-10-39(31-40)56-4/h5-6,8-19,30-31,47H,7,20-29H2,1-4H3,(H,46,53)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	802	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