BDBM50014853 CHEMBL277998::N-((S)-3-Hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide::N-(3-Hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide::cid_434973

SMILES: COc1c(O)cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c1OC

InChI Key: InChIKey=PKYOHQGXPPVIGD-HNNXBMFYSA-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 = 50014853   

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 0 group B member 1 (Homo sapiens (Human))	BDBM50014853 (CHEMBL277998 | N-((S)-3-Hydroxy-1,2-dimethoxy-10-m...) Show SMILES COc1c(O)cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c1OC Show InChI InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(25)20(26-2)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>6.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q23777B0
					More data for this Ligand-Target Pair
Tubulin (Sus scrofa (Pig))	BDBM50014853 (CHEMBL277998 | N-((S)-3-Hydroxy-1,2-dimethoxy-10-m...) Show SMILES COc1c(O)cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c1OC Show InChI InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(25)20(26-2)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				J Med Chem 43: 167-76 (2000) BindingDB Entry DOI: 10.7270/Q2CV4JZB
					More data for this Ligand-Target Pair
Tubulin (Bos taurus)	BDBM50014853 (CHEMBL277998 | N-((S)-3-Hydroxy-1,2-dimethoxy-10-m...) Show SMILES COc1c(O)cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c1OC Show InChI InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(25)20(26-2)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibitory effect on the polymerization of purified bovine brain tubulin.				J Med Chem 33: 567-71 (1990) BindingDB Entry DOI: 10.7270/Q2FB53HZ
					More data for this Ligand-Target Pair
Steroidogenic Factor 1 (Homo sapiens (Human))	BDBM50014853 (CHEMBL277998 | N-((S)-3-Hydroxy-1,2-dimethoxy-10-m...) Show SMILES COc1c(O)cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c1OC Show InChI InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(25)20(26-2)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>6.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2ZG6QV9
					More data for this Ligand-Target Pair