BDBM67854 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester::6-[(2-anilino-2-keto-ethyl)thio]-5-cyano-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid allyl ester::6-[(2-anilino-2-oxoethyl)thio]-5-cyano-4-(2-furanyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester::MLS000556519::SMR000147836::cid_3782132::prop-2-enyl 5-cyano-4-(furan-2-yl)-2-methyl-6-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate::prop-2-enyl 6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate

SMILES: CC1=C(C(C(C#N)C(SCC(=O)Nc2ccccc2)=N1)c1ccco1)C(=O)OCC=C

InChI Key: InChIKey=OPIZPEPZFVCAHS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 67854   

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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67854 (5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmet...) Show SMILES CC1=C(C(C(C#N)C(SCC(=O)Nc2ccccc2)=N1)c1ccco1)C(=O)OCC=C |c:19,t:1| Show InChI InChI=1S/C23H21N3O4S/c1-3-11-30-23(28)20-15(2)25-22(17(13-24)21(20)18-10-7-12-29-18)31-14-19(27)26-16-8-5-4-6-9-16/h3-10,12,17,21H,1,11,14H2,2H3,(H,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.49E+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: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67854 (5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmet...) Show SMILES CC1=C(C(C(C#N)C(SCC(=O)Nc2ccccc2)=N1)c1ccco1)C(=O)OCC=C |c:19,t:1| Show InChI InChI=1S/C23H21N3O4S/c1-3-11-30-23(28)20-15(2)25-22(17(13-24)21(20)18-10-7-12-29-18)31-14-19(27)26-16-8-5-4-6-9-16/h3-10,12,17,21H,1,11,14H2,2H3,(H,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.49E+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: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
XBP1 (Homo sapiens (Human))	BDBM67854 (5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmet...) Show SMILES CC1=C(C(C(C#N)C(SCC(=O)Nc2ccccc2)=N1)c1ccco1)C(=O)OCC=C |c:19,t:1| Show InChI InChI=1S/C23H21N3O4S/c1-3-11-30-23(28)20-15(2)25-22(17(13-24)21(20)18-10-7-12-29-18)31-14-19(27)26-16-8-5-4-6-9-16/h3-10,12,17,21H,1,11,14H2,2H3,(H,26,27)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.19E+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: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair