BDBM50397469 CHEMBL2170841

SMILES: CC(C)Oc1cccc(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=WBUFDZQVTAYDHD-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 = 50397469   

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))	BDBM50397469 (CHEMBL2170841) Show SMILES CC(C)Oc1cccc(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/C46H56ClN7O4S/c1-33(2)58-41-11-7-12-42(32-41)59(56,57)49-38-17-19-39(20-18-38)53-27-29-54(30-28-53)40-10-6-9-36(31-40)44-43(34(3)51(5)45(44)35-13-15-37(47)16-14-35)46(55)48-21-8-22-52-25-23-50(4)24-26-52/h6-7,9-20,31-33,49H,8,21-30H2,1-5H3,(H,48,55)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	522	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))	BDBM50397469 (CHEMBL2170841) Show SMILES CC(C)Oc1cccc(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/C46H56ClN7O4S/c1-33(2)58-41-11-7-12-42(32-41)59(56,57)49-38-17-19-39(20-18-38)53-27-29-54(30-28-53)40-10-6-9-36(31-40)44-43(34(3)51(5)45(44)35-13-15-37(47)16-14-35)46(55)48-21-8-22-52-25-23-50(4)24-26-52/h6-7,9-20,31-33,49H,8,21-30H2,1-5H3,(H,48,55)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+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