BDBM50384347 CHEMBL2031016

SMILES: CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCc3ccc(cc3)C(O)=O)c2c1

InChI Key: InChIKey=AMNIDGUJFSCICQ-UHFFFAOYSA-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 = 50384347   

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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50384347 (CHEMBL2031016) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCc3ccc(cc3)C(O)=O)c2c1 Show InChI InChI=1S/C48H48ClN5O8S/c1-4-6-24-52(25-7-5-2)47(57)44-43(49)31(3)54(50-44)41-22-20-36(27-40(41)46(56)53-26-23-33-11-8-9-12-37(33)29-53)45(55)51-63(60,61)38-21-19-34-13-10-14-42(39(34)28-38)62-30-32-15-17-35(18-16-32)48(58)59/h8-22,27-28H,4-7,23-26,29-30H2,1-3H3,(H,51,55)(H,58,59)	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	17	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))	BDBM50384347 (CHEMBL2031016) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCc3ccc(cc3)C(O)=O)c2c1 Show InChI InChI=1S/C48H48ClN5O8S/c1-4-6-24-52(25-7-5-2)47(57)44-43(49)31(3)54(50-44)41-22-20-36(27-40(41)46(56)53-26-23-33-11-8-9-12-37(33)29-53)45(55)51-63(60,61)38-21-19-34-13-10-14-42(39(34)28-38)62-30-32-15-17-35(18-16-32)48(58)59/h8-22,27-28H,4-7,23-26,29-30H2,1-3H3,(H,51,55)(H,58,59)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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