BDBM50397475 CHEMBL2171007

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

InChI Key: InChIKey=AMSQXXYYFNYRAR-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 = 50397475   

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))	BDBM50397475 (CHEMBL2171007) Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C44H52ClN7O3S/c1-32-8-5-11-40(30-32)56(54,55)47-37-16-18-38(19-17-37)51-26-28-52(29-27-51)39-10-6-9-35(31-39)42-41(33(2)49(4)43(42)34-12-14-36(45)15-13-34)44(53)46-20-7-21-50-24-22-48(3)23-25-50/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	178	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))	BDBM50397475 (CHEMBL2171007) Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C44H52ClN7O3S/c1-32-8-5-11-40(30-32)56(54,55)47-37-16-18-38(19-17-37)51-26-28-52(29-27-51)39-10-6-9-35(31-39)42-41(33(2)49(4)43(42)34-12-14-36(45)15-13-34)44(53)46-20-7-21-50-24-22-48(3)23-25-50/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	689	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