BDBM342463 US9776988, Example 27

SMILES: COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)-c2ccn(CCN3CCOCC3)n2)cc(OC)c1

InChI Key: InChIKey=QLONORAXWCHYSN-UHFFFAOYSA-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 = 342463   

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
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM342463 (US9776988, Example 27) Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)-c2ccn(CCN3CCOCC3)n2)cc(OC)c1 Show InChI InChI=1S/C29H33N7O3/c1-37-23-15-20(16-24(19-23)38-2)3-5-22-18-28(33-32-22)29-30-26-6-4-21(17-27(26)31-29)25-7-8-36(34-25)10-9-35-11-13-39-14-12-35/h4,6-8,15-19H,3,5,9-14H2,1-2H3,(H,30,31)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.54	n/a	n/a	n/a	n/a	n/a	n/a
Celon Pharma S.A. US Patent					Assay Description The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...				US Patent US9776988 (2017) BindingDB Entry DOI: 10.7270/Q27946S6
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM342463 (US9776988, Example 27) Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)-c2ccn(CCN3CCOCC3)n2)cc(OC)c1 Show InChI InChI=1S/C29H33N7O3/c1-37-23-15-20(16-24(19-23)38-2)3-5-22-18-28(33-32-22)29-30-26-6-4-21(17-27(26)31-29)25-7-8-36(34-25)10-9-35-11-13-39-14-12-35/h4,6-8,15-19H,3,5,9-14H2,1-2H3,(H,30,31)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	88.1	n/a	n/a	n/a	n/a	n/a	n/a
Celon Pharma S.A. US Patent					Assay Description The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...				US Patent US9776988 (2017) BindingDB Entry DOI: 10.7270/Q27946S6
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM342463 (US9776988, Example 27) Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)-c2ccn(CCN3CCOCC3)n2)cc(OC)c1 Show InChI InChI=1S/C29H33N7O3/c1-37-23-15-20(16-24(19-23)38-2)3-5-22-18-28(33-32-22)29-30-26-6-4-21(17-27(26)31-29)25-7-8-36(34-25)10-9-35-11-13-39-14-12-35/h4,6-8,15-19H,3,5,9-14H2,1-2H3,(H,30,31)(H,32,33)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.8	n/a	n/a	n/a	n/a	n/a	n/a
Celon Pharma S.A. US Patent					Assay Description The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...				US Patent US9776988 (2017) BindingDB Entry DOI: 10.7270/Q27946S6
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 2 (Homo sapiens (Human))	BDBM342463 (US9776988, Example 27) Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)-c2ccn(CCN3CCOCC3)n2)cc(OC)c1 Show InChI InChI=1S/C29H33N7O3/c1-37-23-15-20(16-24(19-23)38-2)3-5-22-18-28(33-32-22)29-30-26-6-4-21(17-27(26)31-29)25-7-8-36(34-25)10-9-35-11-13-39-14-12-35/h4,6-8,15-19H,3,5,9-14H2,1-2H3,(H,30,31)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.26	n/a	n/a	n/a	n/a	n/a	n/a
Celon Pharma S.A. US Patent					Assay Description The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...				US Patent US9776988 (2017) BindingDB Entry DOI: 10.7270/Q27946S6
					More data for this Ligand-Target Pair