BDBM50349194 GLAUCARUBINONE::NSC-14975

SMILES: CC[C@](C)(O)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@@]22[C@H]3[C@]3(C)[C@@H](C[C@H]2OC1=O)C(C)CC(=O)C3=O

InChI Key: InChIKey=AHAUNXVCFORDCA-JNMHQUJMSA-N

Data: 1 IC50  2 EC50

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 = 50349194   

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
Transcription factor AP-1 (Homo sapiens (Human))	BDBM50349194 (GLAUCARUBINONE | NSC-14975) Show SMILES CC[C@](C)(O)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@@]22[C@H]3[C@]3(C)[C@@H](C[C@H]2OC1=O)C(C)CC(=O)C3=O |r,TLB:11:10:19:17.16,8:9:19:17.16,13:12:19:17.16| Show InChI InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h10-12,14-17,20,27,31-32H,6-9H2,1-5H3/t10?,11-,12+,14-,15-,16-,17-,20-,22+,23-,24+,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Inhibition of AP-1 (unknown origin) by FRET assay				J Med Chem 57: 6930-48 (2014) Article DOI: 10.1021/jm5004733 BindingDB Entry DOI: 10.7270/Q2222WDT
					More data for this Ligand-Target Pair
Transcription factor AP-1 (Homo sapiens (Human))	BDBM50349194 (GLAUCARUBINONE | NSC-14975) Show SMILES CC[C@](C)(O)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@@]22[C@H]3[C@]3(C)[C@@H](C[C@H]2OC1=O)C(C)CC(=O)C3=O |r,TLB:11:10:19:17.16,8:9:19:17.16,13:12:19:17.16| Show InChI InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h10-12,14-17,20,27,31-32H,6-9H2,1-5H3/t10?,11-,12+,14-,15-,16-,17-,20-,22+,23-,24+,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of TPA-induced AP1 transfected in HEK293 cells assessed as inhibition of beta-lactamase reporter activity treated 1 hr before TPA stimulat...				J Nat Prod 72: 503-6 (2010) Article DOI: 10.1021/np800732n BindingDB Entry DOI: 10.7270/Q2BZ66ZP
					More data for this Ligand-Target Pair
Transcription factor AP-1 (Homo sapiens (Human))	BDBM50349194 (GLAUCARUBINONE | NSC-14975) Show SMILES CC[C@](C)(O)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@@]22[C@H]3[C@]3(C)[C@@H](C[C@H]2OC1=O)C(C)CC(=O)C3=O |r,TLB:11:10:19:17.16,8:9:19:17.16,13:12:19:17.16| Show InChI InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h10-12,14-17,20,27,31-32H,6-9H2,1-5H3/t10?,11-,12+,14-,15-,16-,17-,20-,22+,23-,24+,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of TPA-induced AP-1 activity expressed in human HEK293T cells treated 1 hr before TPA challenge measured after 18 hrs by FRET based beta-l...				Bioorg Med Chem Lett 21: 4397-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.044 BindingDB Entry DOI: 10.7270/Q2ZK5H1Q
					More data for this Ligand-Target Pair