BDBM50189123 (4-benzyloxy-3-chloro-phenyl)-{6-[5-(1-oxo-1lambda*4*-thiomorpholin-4-ylmethyl)-furan-2-yl]-quinazolin-4-yl}-amine::CHEMBL212965::GW583373A

SMILES: Clc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1

InChI Key: InChIKey=BDCAOKLPNVNFEL-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50189123   

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
Aminoglycoside 2-O nucleotidyltransferase (ANT(2")-Ia) (Klebsiella pneumoniae)	BDBM50189123 ((4-benzyloxy-3-chloro-phenyl)-{6-[5-(1-oxo-1lambda...) Show SMILES Clc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1 Show InChI InChI=1S/C30H27ClN4O3S/c31-26-17-23(7-10-29(26)37-19-21-4-2-1-3-5-21)34-30-25-16-22(6-9-27(25)32-20-33-30)28-11-8-24(38-28)18-35-12-14-39(36)15-13-35/h1-11,16-17,20H,12-15,18-19H2,(H,32,33,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McMaster University					Assay Description In vitro ANT(2")-Ia pyrophosphatase assays were performed as described previously (Cox et al., 2015; Hirsch et al., 2014), with minor modifications. ...				Cell Chem Biol 24: 98-109 (2017) Article DOI: 10.1016/j.chembiol.2016.11.011 BindingDB Entry DOI: 10.7270/Q21Z437G
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50189123 ((4-benzyloxy-3-chloro-phenyl)-{6-[5-(1-oxo-1lambda...) Show SMILES Clc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1 Show InChI InChI=1S/C30H27ClN4O3S/c31-26-17-23(7-10-29(26)37-19-21-4-2-1-3-5-21)34-30-25-16-22(6-9-27(25)32-20-33-30)28-11-8-24(38-28)18-35-12-14-39(36)15-13-35/h1-11,16-17,20H,12-15,18-19H2,(H,32,33,34)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 16: 4686-91 (2006) Article DOI: 10.1016/j.bmcl.2006.05.090 BindingDB Entry DOI: 10.7270/Q2VM4D2Z
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50189123 ((4-benzyloxy-3-chloro-phenyl)-{6-[5-(1-oxo-1lambda...) Show SMILES Clc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1 Show InChI InChI=1S/C30H27ClN4O3S/c31-26-17-23(7-10-29(26)37-19-21-4-2-1-3-5-21)34-30-25-16-22(6-9-27(25)32-20-33-30)28-11-8-24(38-28)18-35-12-14-39(36)15-13-35/h1-11,16-17,20H,12-15,18-19H2,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB1				Bioorg Med Chem Lett 16: 4686-91 (2006) Article DOI: 10.1016/j.bmcl.2006.05.090 BindingDB Entry DOI: 10.7270/Q2VM4D2Z
					More data for this Ligand-Target Pair