BDBM50007077 4-(2-methoxy-4-(2-nitrovinyl)phenoxysulfonyl)benzoic acid::4-[2-Methoxy-4-(2-nitro-vinyl)-phenoxysulfonyl]-benzoic acid::CHEMBL418907

SMILES: COc1cc(\C=C\[N+]([O-])=O)ccc1O[S+]([O-])(=O)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=AQOKHTQLSPHEKY-CMDGGOBGSA-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 = 50007077   

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
Tyrosine-protein kinase transforming protein Abl (Abelson murine leukemia virus)	BDBM50007077 (4-(2-methoxy-4-(2-nitrovinyl)phenoxysulfonyl)benzo...) Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O[S+]([O-])(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C16H13NO8S/c1-24-15-10-11(8-9-17(20)21)2-7-14(15)25-26(22,23)13-5-3-12(4-6-13)16(18)19/h2-10H,1H3,(H-,18,19,22,23)/b9-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Abelson murine leukemia virus p60 v-abl				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
Tyrosine-protein kinase ABL (Homo sapiens (Human))	BDBM50007077 (4-(2-methoxy-4-(2-nitrovinyl)phenoxysulfonyl)benzo...) Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O[S+]([O-])(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C16H13NO8S/c1-24-15-10-11(8-9-17(20)21)2-7-14(15)25-26(22,23)13-5-3-12(4-6-13)16(18)19/h2-10H,1H3,(H-,18,19,22,23)/b9-8+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant v-Abl tyrosine kinase.				J Med Chem 34: 2328-37 (1991) BindingDB Entry DOI: 10.7270/Q24F1RB9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50007077 (4-(2-methoxy-4-(2-nitrovinyl)phenoxysulfonyl)benzo...) Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O[S+]([O-])(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C16H13NO8S/c1-24-15-10-11(8-9-17(20)21)2-7-14(15)25-26(22,23)13-5-3-12(4-6-13)16(18)19/h2-10H,1H3,(H-,18,19,22,23)/b9-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Ltd. Curated by ChEMBL					Assay Description Inhibition of the epidermal growth factor receptor expressed in A431 cell line				J Med Chem 34: 2328-37 (1991) BindingDB Entry DOI: 10.7270/Q24F1RB9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50007077 (4-(2-methoxy-4-(2-nitrovinyl)phenoxysulfonyl)benzo...) Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O[S+]([O-])(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C16H13NO8S/c1-24-15-10-11(8-9-17(20)21)2-7-14(15)25-26(22,23)13-5-3-12(4-6-13)16(18)19/h2-10H,1H3,(H-,18,19,22,23)/b9-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	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