BDBM50384349 CHEMBL2031018::US9346795, 11

SMILES: CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(I)cc2c1

InChI Key: InChIKey=DKJBPPVETUSFTM-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50384349   

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))	BDBM50384349 (CHEMBL2031018 | US9346795, 11) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(I)cc2c1 Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-19-45(20-7-5-2)40(50)37-36(41)26(3)47(43-37)35-17-14-29(24-34(35)39(49)46-21-18-27-10-8-9-11-30(27)25-46)38(48)44-53(51,52)33-16-13-28-12-15-32(42)22-31(28)23-33/h8-17,22-24H,4-7,18-21,25H2,1-3H3,(H,44,48)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB 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))	BDBM50384349 (CHEMBL2031018 | US9346795, 11) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(I)cc2c1 Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-19-45(20-7-5-2)40(50)37-36(41)26(3)47(43-37)35-17-14-29(24-34(35)39(49)46-21-18-27-10-8-9-11-30(27)25-46)38(48)44-53(51,52)33-16-13-28-12-15-32(42)22-31(28)23-33/h8-17,22-24H,4-7,18-21,25H2,1-3H3,(H,44,48)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	47	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))	BDBM50384349 (CHEMBL2031018 | US9346795, 11) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(I)cc2c1 Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-19-45(20-7-5-2)40(50)37-36(41)26(3)47(43-37)35-17-14-29(24-34(35)39(49)46-21-18-27-10-8-9-11-30(27)25-46)38(48)44-53(51,52)33-16-13-28-12-15-32(42)22-31(28)23-33/h8-17,22-24H,4-7,18-21,25H2,1-3H3,(H,44,48)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB 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 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))	BDBM50384349 (CHEMBL2031018 | US9346795, 11) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(I)cc2c1 Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-19-45(20-7-5-2)40(50)37-36(41)26(3)47(43-37)35-17-14-29(24-34(35)39(49)46-21-18-27-10-8-9-11-30(27)25-46)38(48)44-53(51,52)33-16-13-28-12-15-32(42)22-31(28)23-33/h8-17,22-24H,4-7,18-21,25H2,1-3H3,(H,44,48)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	50	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