BDBM50384363 CHEMBL2031014::US9346795, 27

SMILES: CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCCN3CCOCC3)c2c1

InChI Key: InChIKey=BJPSMYMYTMRFJT-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50384363   

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))	BDBM50384363 (CHEMBL2031014 | US9346795, 27) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCCN3CCOCC3)c2c1 Show InChI InChI=1S/C46H53ClN6O7S/c1-4-6-20-51(21-7-5-2)46(56)43-42(47)32(3)53(48-43)40-18-16-35(29-39(40)45(55)52-22-19-33-11-8-9-12-36(33)31-52)44(54)49-61(57,58)37-17-15-34-13-10-14-41(38(34)30-37)60-28-25-50-23-26-59-27-24-50/h8-18,29-30H,4-7,19-28,31H2,1-3H3,(H,49,54)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...				US Patent US9346795 (2016) BindingDB Entry DOI: 10.7270/Q2SF2V27
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50384363 (CHEMBL2031014 | US9346795, 27) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCCN3CCOCC3)c2c1 Show InChI InChI=1S/C46H53ClN6O7S/c1-4-6-20-51(21-7-5-2)46(56)43-42(47)32(3)53(48-43)40-18-16-35(29-39(40)45(55)52-22-19-33-11-8-9-12-36(33)31-52)44(54)49-61(57,58)37-17-15-34-13-10-14-41(38(34)30-37)60-28-25-50-23-26-59-27-24-50/h8-18,29-30H,4-7,19-28,31H2,1-3H3,(H,49,54)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research Curated by ChEMBL					Assay Description Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay				Bioorg Med Chem Lett 22: 3946-50 (2012) Article DOI: 10.1016/j.bmcl.2012.04.103 BindingDB Entry DOI: 10.7270/Q20866BM
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50384363 (CHEMBL2031014 | US9346795, 27) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCCN3CCOCC3)c2c1 Show InChI InChI=1S/C46H53ClN6O7S/c1-4-6-20-51(21-7-5-2)46(56)43-42(47)32(3)53(48-43)40-18-16-35(29-39(40)45(55)52-22-19-33-11-8-9-12-36(33)31-52)44(54)49-61(57,58)37-17-15-34-13-10-14-41(38(34)30-37)60-28-25-50-23-26-59-27-24-50/h8-18,29-30H,4-7,19-28,31H2,1-3H3,(H,49,54)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research Curated by ChEMBL					Assay Description Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis				Bioorg Med Chem Lett 22: 3946-50 (2012) Article DOI: 10.1016/j.bmcl.2012.04.103 BindingDB Entry DOI: 10.7270/Q20866BM
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50384363 (CHEMBL2031014 | US9346795, 27) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCCN3CCOCC3)c2c1 Show InChI InChI=1S/C46H53ClN6O7S/c1-4-6-20-51(21-7-5-2)46(56)43-42(47)32(3)53(48-43)40-18-16-35(29-39(40)45(55)52-22-19-33-11-8-9-12-36(33)31-52)44(54)49-61(57,58)37-17-15-34-13-10-14-41(38(34)30-37)60-28-25-50-23-26-59-27-24-50/h8-18,29-30H,4-7,19-28,31H2,1-3H3,(H,49,54)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...				US Patent US9346795 (2016) BindingDB Entry DOI: 10.7270/Q2SF2V27
					More data for this Ligand-Target Pair