BDBM50372177 CHEMBL404899

SMILES: OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O

InChI Key: InChIKey=MEWOLNCWQUCYPM-BOVCXGLBSA-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 = 50372177   

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
Bcl2-antagonist of cell death (BAD) (Homo sapiens (Human))	BDBM50372177 (CHEMBL404899) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C40H32N2O8S4/c43-35-33(53-39(51)41(35)31(37(45)46)21-25-7-3-1-4-8-25)23-27-11-15-29(16-12-27)49-19-20-50-30-17-13-28(14-18-30)24-34-36(44)42(40(52)54-34)32(38(47)48)22-26-9-5-2-6-10-26/h1-18,23-24,31-32H,19-22H2,(H,45,46)(H,47,48)/b33-23-,34-24-/t31-,32-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-Xl				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
BCL-W (Homo sapiens (Human))	BDBM50372177 (CHEMBL404899) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C40H32N2O8S4/c43-35-33(53-39(51)41(35)31(37(45)46)21-25-7-3-1-4-8-25)23-27-11-15-29(16-12-27)49-19-20-50-30-17-13-28(14-18-30)24-34-36(44)42(40(52)54-34)32(38(47)48)22-26-9-5-2-6-10-26/h1-18,23-24,31-32H,19-22H2,(H,45,46)(H,47,48)/b33-23-,34-24-/t31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-w				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50372177 (CHEMBL404899) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C40H32N2O8S4/c43-35-33(53-39(51)41(35)31(37(45)46)21-25-7-3-1-4-8-25)23-27-11-15-29(16-12-27)49-19-20-50-30-17-13-28(14-18-30)24-34-36(44)42(40(52)54-34)32(38(47)48)22-26-9-5-2-6-10-26/h1-18,23-24,31-32H,19-22H2,(H,45,46)(H,47,48)/b33-23-,34-24-/t31-,32-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl2				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair