BDBM342472 US9776988, Example 4

SMILES: COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)C(=O)NCCN2CCOCC2)cc(OC)c1

InChI Key: InChIKey=VQCLOXLEVFZMAT-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 = 342472   

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))	BDBM342472 (US9776988, Example 4) Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)C(=O)NCCN2CCOCC2)cc(OC)c1 Show InChI InChI=1S/C27H32N6O4/c1-35-21-13-18(14-22(17-21)36-2)3-5-20-16-25(32-31-20)26-29-23-6-4-19(15-24(23)30-26)27(34)28-7-8-33-9-11-37-12-10-33/h4,6,13-17H,3,5,7-12H2,1-2H3,(H,28,34)(H,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.3	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))	BDBM342472 (US9776988, Example 4) Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)C(=O)NCCN2CCOCC2)cc(OC)c1 Show InChI InChI=1S/C27H32N6O4/c1-35-21-13-18(14-22(17-21)36-2)3-5-20-16-25(32-31-20)26-29-23-6-4-19(15-24(23)30-26)27(34)28-7-8-33-9-11-37-12-10-33/h4,6,13-17H,3,5,7-12H2,1-2H3,(H,28,34)(H,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	82.9	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))	BDBM342472 (US9776988, Example 4) Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)C(=O)NCCN2CCOCC2)cc(OC)c1 Show InChI InChI=1S/C27H32N6O4/c1-35-21-13-18(14-22(17-21)36-2)3-5-20-16-25(32-31-20)26-29-23-6-4-19(15-24(23)30-26)27(34)28-7-8-33-9-11-37-12-10-33/h4,6,13-17H,3,5,7-12H2,1-2H3,(H,28,34)(H,29,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29.8	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))	BDBM342472 (US9776988, Example 4) Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)C(=O)NCCN2CCOCC2)cc(OC)c1 Show InChI InChI=1S/C27H32N6O4/c1-35-21-13-18(14-22(17-21)36-2)3-5-20-16-25(32-31-20)26-29-23-6-4-19(15-24(23)30-26)27(34)28-7-8-33-9-11-37-12-10-33/h4,6,13-17H,3,5,7-12H2,1-2H3,(H,28,34)(H,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.18	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