BDBM313766 US10167285, Example 11

SMILES: Fc1ncc2NC(Cc3c4Oc4ccc3I)N(CCCC#C)c2n1

InChI Key: InChIKey=XWSKWAZLZAXSEN-UHFFFAOYSA-N

Data: 2 IC50  1 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 = 313766   

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
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM313766 (US10167285, Example 11) Show SMILES Fc1ncc2NC(Cc3c4Oc4ccc3I)N(CCCC#C)c2n1 Show InChI InChI=1S/C17H14FIN4O/c1-2-3-4-7-23-14(21-12-9-20-17(18)22-16(12)23)8-10-11(19)5-6-13-15(10)24-13/h1,5-6,9,14,21H,3-4,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	22.3	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center US Patent					Assay Description The biochemical assay tests competitive binding of compounds to recombinant Hsp90α protein and also Hsp90 found in cell specific complexes, and ...				US Patent US10167285 (2019) BindingDB Entry DOI: 10.7270/Q2BZ684R
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM313766 (US10167285, Example 11) Show SMILES Fc1ncc2NC(Cc3c4Oc4ccc3I)N(CCCC#C)c2n1 Show InChI InChI=1S/C17H14FIN4O/c1-2-3-4-7-23-14(21-12-9-20-17(18)22-16(12)23)8-10-11(19)5-6-13-15(10)24-13/h1,5-6,9,14,21H,3-4,7-8H2	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center US Patent									US Patent US10167285 (2019) BindingDB Entry DOI: 10.7270/Q2BZ684R
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM313766 (US10167285, Example 11) Show SMILES Fc1ncc2NC(Cc3c4Oc4ccc3I)N(CCCC#C)c2n1 Show InChI InChI=1S/C17H14FIN4O/c1-2-3-4-7-23-14(21-12-9-20-17(18)22-16(12)23)8-10-11(19)5-6-13-15(10)24-13/h1,5-6,9,14,21H,3-4,7-8H2	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center US Patent									US Patent US10167285 (2019) BindingDB Entry DOI: 10.7270/Q2BZ684R
					More data for this Ligand-Target Pair