BDBM40627 (E)-3-amino-2-[1-oxo-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]ethyl]-2-butenenitrile::(E)-3-amino-2-[2-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]acetyl]but-2-enenitrile::(E)-3-amino-2-[2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]but-2-enenitrile::(E)-3-azanyl-2-[2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl]but-2-enenitrile::MLS000056676::SMR000065414::cid_5742574

SMILES: CC(C)Nc1nnc(SCC(=O)C(C#N)C(C)=N)s1

InChI Key: InChIKey=LLWWEHLVGYXKPY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 40627   

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
nuclear receptor subfamily 4, group A, member 1 (Homo sapiens (Human))	BDBM40627 ((E)-3-amino-2-[1-oxo-2-[[5-(propan-2-ylamino)-1,3,...) Show SMILES CC(C)Nc1nnc(SCC(=O)C(C#N)C(C)=N)s1 Show InChI InChI=1S/C11H15N5OS2/c1-6(2)14-10-15-16-11(19-10)18-5-9(17)8(4-12)7(3)13/h6,8,13H,5H2,1-3H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	2.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q29C6VTK
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM40627 ((E)-3-amino-2-[1-oxo-2-[[5-(propan-2-ylamino)-1,3,...) Show SMILES CC(C)Nc1nnc(SCC(=O)C(C#N)C(C)=N)s1 Show InChI InChI=1S/C11H15N5OS2/c1-6(2)14-10-15-16-11(19-10)18-5-9(17)8(4-12)7(3)13/h6,8,13H,5H2,1-3H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2DF6PNW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM40627 ((E)-3-amino-2-[1-oxo-2-[[5-(propan-2-ylamino)-1,3,...) Show SMILES CC(C)Nc1nnc(SCC(=O)C(C#N)C(C)=N)s1 Show InChI InChI=1S/C11H15N5OS2/c1-6(2)14-10-15-16-11(19-10)18-5-9(17)8(4-12)7(3)13/h6,8,13H,5H2,1-3H3,(H,14,15)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J67FCM
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM40627 ((E)-3-amino-2-[1-oxo-2-[[5-(propan-2-ylamino)-1,3,...) Show SMILES CC(C)Nc1nnc(SCC(=O)C(C#N)C(C)=N)s1 Show InChI InChI=1S/C11H15N5OS2/c1-6(2)14-10-15-16-11(19-10)18-5-9(17)8(4-12)7(3)13/h6,8,13H,5H2,1-3H3,(H,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2CF9NHH
					More data for this Ligand-Target Pair