BDBM50671 4-[(E)-2-cyano-2-(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)vinyl]benzoic acid::4-[(E)-2-cyano-2-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethenyl]benzoic acid::4-[(E)-2-cyano-2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethenyl]benzoic acid::MLS000761451::SMR000371545::cid_6144007

SMILES: OC(=O)c1ccc(C=C(C#N)c2nc3sc4CCCCc4c3c(=O)[nH]2)cc1

InChI Key: InChIKey=NIONGLZUINJAFB-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 = 50671   

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
neutrophil cytosolic factor 1 (Homo sapiens (Human))	BDBM50671 (4-[(E)-2-cyano-2-(4-keto-5,6,7,8-tetrahydro-3H-ben...) Show SMILES OC(=O)c1ccc(C=C(C#N)c2nc3sc4CCCCc4c3c(=O)[nH]2)cc1 |w:7.6| Show InChI InChI=1S/C20H15N3O3S/c21-10-13(9-11-5-7-12(8-6-11)20(25)26)17-22-18(24)16-14-3-1-2-4-15(14)27-19(16)23-17/h5-9H,1-4H2,(H,25,26)(H,22,23,24)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.76E+3	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: Susan Smith, Emory Univers...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50671 (4-[(E)-2-cyano-2-(4-keto-5,6,7,8-tetrahydro-3H-ben...) Show SMILES OC(=O)c1ccc(C=C(C#N)c2nc3sc4CCCCc4c3c(=O)[nH]2)cc1 |w:7.6| Show InChI InChI=1S/C20H15N3O3S/c21-10-13(9-11-5-7-12(8-6-11)20(25)26)17-22-18(24)16-14-3-1-2-4-15(14)27-19(16)23-17/h5-9H,1-4H2,(H,25,26)(H,22,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.52E+3	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: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair