BDBM50195313 CHEMBL3895790

SMILES: Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc3ccccc3)c(c1)[N+]([O-])=O)C(C)(C)CCC2(C)C

InChI Key: InChIKey=UQOYPUQPZRJYPK-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50195313   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50195313 (CHEMBL3895790) Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc3ccccc3)c(c1)[N+]([O-])=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C38H41N3O5S2/c1-25-22-32-33(38(5,6)19-18-37(32,3)4)24-31(25)26(2)27-12-14-28(15-13-27)36(42)40-48(45,46)30-16-17-34(35(23-30)41(43)44)39-20-21-47-29-10-8-7-9-11-29/h7-17,22-24,39H,2,18-21H2,1,3-6H3,(H,40,42)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50195313 (CHEMBL3895790) Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc3ccccc3)c(c1)[N+]([O-])=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C38H41N3O5S2/c1-25-22-32-33(38(5,6)19-18-37(32,3)4)24-31(25)26(2)27-12-14-28(15-13-27)36(42)40-48(45,46)30-16-17-34(35(23-30)41(43)44)39-20-21-47-29-10-8-7-9-11-29/h7-17,22-24,39H,2,18-21H2,1,3-6H3,(H,40,42)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195313 (CHEMBL3895790) Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc3ccccc3)c(c1)[N+]([O-])=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C38H41N3O5S2/c1-25-22-32-33(38(5,6)19-18-37(32,3)4)24-31(25)26(2)27-12-14-28(15-13-27)36(42)40-48(45,46)30-16-17-34(35(23-30)41(43)44)39-20-21-47-29-10-8-7-9-11-29/h7-17,22-24,39H,2,18-21H2,1,3-6H3,(H,40,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair