BDBM50384348 CHEMBL2031017::US9346795, 7

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

InChI Key: InChIKey=ZCJXKCAZRTUQTM-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 = 50384348   

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))	BDBM50384348 (CHEMBL2031017 | US9346795, 7) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(I)c2c1 Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-20-45(21-7-5-2)40(50)37-36(41)26(3)47(43-37)35-18-16-29(23-33(35)39(49)46-22-19-27-11-8-9-12-30(27)25-46)38(48)44-53(51,52)31-17-15-28-13-10-14-34(42)32(28)24-31/h8-18,23-24H,4-7,19-22,25H2,1-3H3,(H,44,48)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50384348 (CHEMBL2031017 | US9346795, 7) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(I)c2c1 Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-20-45(21-7-5-2)40(50)37-36(41)26(3)47(43-37)35-18-16-29(23-33(35)39(49)46-22-19-27-11-8-9-12-30(27)25-46)38(48)44-53(51,52)31-17-15-28-13-10-14-34(42)32(28)24-31/h8-18,23-24H,4-7,19-22,25H2,1-3H3,(H,44,48)	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	37	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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50384348 (CHEMBL2031017 | US9346795, 7) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(I)c2c1 Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-20-45(21-7-5-2)40(50)37-36(41)26(3)47(43-37)35-18-16-29(23-33(35)39(49)46-22-19-27-11-8-9-12-30(27)25-46)38(48)44-53(51,52)31-17-15-28-13-10-14-34(42)32(28)24-31/h8-18,23-24H,4-7,19-22,25H2,1-3H3,(H,44,48)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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))	BDBM50384348 (CHEMBL2031017 | US9346795, 7) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(I)c2c1 Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-20-45(21-7-5-2)40(50)37-36(41)26(3)47(43-37)35-18-16-29(23-33(35)39(49)46-22-19-27-11-8-9-12-30(27)25-46)38(48)44-53(51,52)31-17-15-28-13-10-14-34(42)32(28)24-31/h8-18,23-24H,4-7,19-22,25H2,1-3H3,(H,44,48)	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