BDBM50025606 LAVENDUSTIN B

SMILES: OC(=O)c1cc(ccc1O)N(Cc1ccccc1O)Cc1ccccc1O

InChI Key: InChIKey=RTYOLBQXFXYMKY-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 = 50025606   

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
Epidermal growth factor receptor erbB1 (Mus musculus)	BDBM50025606 (LAVENDUSTIN B) Show SMILES OC(=O)c1cc(ccc1O)N(Cc1ccccc1O)Cc1ccccc1O Show InChI InChI=1S/C21H19NO5/c23-18-7-3-1-5-14(18)12-22(13-15-6-2-4-8-19(15)24)16-9-10-20(25)17(11-16)21(26)27/h1-11,23-25H,12-13H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse EGFR by liquid scintillation counting				Citation and Details Article DOI: 10.1021/np50066a009 BindingDB Entry DOI: 10.7270/Q2BP05JV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50025606 (LAVENDUSTIN B) Show SMILES OC(=O)c1cc(ccc1O)N(Cc1ccccc1O)Cc1ccccc1O Show InChI InChI=1S/C21H19NO5/c23-18-7-3-1-5-14(18)12-22(13-15-6-2-4-8-19(15)24)16-9-10-20(25)17(11-16)21(26)27/h1-11,23-25H,12-13H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells				J Nat Prod 55: 1529-1560 (1992) Article DOI: 10.1021/np50089a001 BindingDB Entry DOI: 10.7270/Q2J966CC
					More data for this Ligand-Target Pair