BDBM50180048 (R)-8-(3-methylbutylidene)-4-(5-methylhexanoyl)-1-thia-4-aza-spiro[4.5]decane-3-carboxylic acid::CHEMBL426477

SMILES: CC(C)CCCC(=O)N1[C@@H](CSC11CCC(CC1)=CCC(C)C)C(O)=O

InChI Key: InChIKey=BPGUSGMKVDXCDQ-KQOZALMFSA-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 = 50180048   

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
Proto-oncogene c-JUN/protein c-fos (Homo sapiens (Human))	BDBM50180048 ((R)-8-(3-methylbutylidene)-4-(5-methylhexanoyl)-1-...) Show SMILES CC(C)CCCC(=O)N1[C@@H](CSC11CCC(CC1)=CCC(C)C)C(O)=O |wU:9.24,(8.93,-9.16,;7.84,-8.07,;8.25,-6.58,;6.35,-8.46,;5.27,-7.36,;5.68,-5.88,;4.6,-4.78,;3.11,-5.17,;5,-3.29,;6.45,-2.75,;6.37,-1.21,;4.89,-.81,;4.04,-2.09,;3.34,-3.46,;1.8,-3.53,;.97,-2.23,;1.68,-.87,;3.22,-.8,;-.57,-2.31,;-1.4,-1.01,;-2.94,-1.08,;-3.77,.22,;-3.65,-2.45,;7.73,-3.6,;9.11,-2.91,;7.64,-5.14,)| Show InChI InChI=1S/C21H35NO3S/c1-15(2)6-5-7-19(23)22-18(20(24)25)14-26-21(22)12-10-17(11-13-21)9-8-16(3)4/h9,15-16,18H,5-8,10-14H2,1-4H3,(H,24,25)/b17-9-/t18-,21?/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Chemical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity on AP1 using ELISA based AP1 DNA binding				J Med Chem 49: 80-91 (2006) Article DOI: 10.1021/jm050550d BindingDB Entry DOI: 10.7270/Q2VX0G2C
					More data for this Ligand-Target Pair
Proto-oncogene c-JUN/protein c-fos (Homo sapiens (Human))	BDBM50180048 ((R)-8-(3-methylbutylidene)-4-(5-methylhexanoyl)-1-...) Show SMILES CC(C)CCCC(=O)N1[C@@H](CSC11CCC(CC1)=CCC(C)C)C(O)=O |wU:9.24,(8.93,-9.16,;7.84,-8.07,;8.25,-6.58,;6.35,-8.46,;5.27,-7.36,;5.68,-5.88,;4.6,-4.78,;3.11,-5.17,;5,-3.29,;6.45,-2.75,;6.37,-1.21,;4.89,-.81,;4.04,-2.09,;3.34,-3.46,;1.8,-3.53,;.97,-2.23,;1.68,-.87,;3.22,-.8,;-.57,-2.31,;-1.4,-1.01,;-2.94,-1.08,;-3.77,.22,;-3.65,-2.45,;7.73,-3.6,;9.11,-2.91,;7.64,-5.14,)| Show InChI InChI=1S/C21H35NO3S/c1-15(2)6-5-7-19(23)22-18(20(24)25)14-26-21(22)12-10-17(11-13-21)9-8-16(3)4/h9,15-16,18H,5-8,10-14H2,1-4H3,(H,24,25)/b17-9-/t18-,21?/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Chemical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of the expression of AP1-luciferase by TPA-stimulated NIH3T3 cells				J Med Chem 49: 80-91 (2006) Article DOI: 10.1021/jm050550d BindingDB Entry DOI: 10.7270/Q2VX0G2C
					More data for this Ligand-Target Pair