BDBM50384341 CHEMBL2031029

SMILES: CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=FOBQWXYWANGVPV-QNGWXLTQSA-N

Data: 2 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 = 50384341   

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))	BDBM50384341 (CHEMBL2031029) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C45H51ClN6O6S/c1-4-6-20-50(21-7-5-2)45(55)42-41(46)31(3)52(47-42)40-19-17-35(43(53)48-59(56,57)38-18-16-32-12-8-9-14-34(32)27-38)28-39(40)44(54)51-29-36-15-11-10-13-33(36)26-37(51)30-49-22-24-58-25-23-49/h8-19,27-28,37H,4-7,20-26,29-30H2,1-3H3,(H,48,53)/t37-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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))	BDBM50384341 (CHEMBL2031029) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C45H51ClN6O6S/c1-4-6-20-50(21-7-5-2)45(55)42-41(46)31(3)52(47-42)40-19-17-35(43(53)48-59(56,57)38-18-16-32-12-8-9-14-34(32)27-38)28-39(40)44(54)51-29-36-15-11-10-13-33(36)26-37(51)30-49-22-24-58-25-23-49/h8-19,27-28,37H,4-7,20-26,29-30H2,1-3H3,(H,48,53)/t37-/m0/s1	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	16	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