BDBM50372178 CHEMBL406312

SMILES: OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O

InChI Key: InChIKey=KYTPZOARRDNICZ-TWLRFMQXSA-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 = 50372178   

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-W (Homo sapiens (Human))	BDBM50372178 (CHEMBL406312) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C39H30N2O8S4/c42-34-32(52-38(50)40(34)30(36(44)45)19-24-7-3-1-4-8-24)21-26-11-15-28(16-12-26)48-23-49-29-17-13-27(14-18-29)22-33-35(43)41(39(51)53-33)31(37(46)47)20-25-9-5-2-6-10-25/h1-18,21-22,30-31H,19-20,23H2,(H,44,45)(H,46,47)/b32-21-,33-22-/t30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+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
Bcl2-antagonist of cell death (BAD) (Homo sapiens (Human))	BDBM50372178 (CHEMBL406312) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C39H30N2O8S4/c42-34-32(52-38(50)40(34)30(36(44)45)19-24-7-3-1-4-8-24)21-26-11-15-28(16-12-26)48-23-49-29-17-13-27(14-18-29)22-33-35(43)41(39(51)53-33)31(37(46)47)20-25-9-5-2-6-10-25/h1-18,21-22,30-31H,19-20,23H2,(H,44,45)(H,46,47)/b32-21-,33-22-/t30-,31-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+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-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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50372178 (CHEMBL406312) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C39H30N2O8S4/c42-34-32(52-38(50)40(34)30(36(44)45)19-24-7-3-1-4-8-24)21-26-11-15-28(16-12-26)48-23-49-29-17-13-27(14-18-29)22-33-35(43)41(39(51)53-33)31(37(46)47)20-25-9-5-2-6-10-25/h1-18,21-22,30-31H,19-20,23H2,(H,44,45)(H,46,47)/b32-21-,33-22-/t30-,31-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+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 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