BDBM161388 US10124003, Ex. Compound 1::US10835536, Ex. Comp 1::US10894048, Ex Comp 1::US9108973, 1

SMILES: COc1cc(OC)cc(c1)C#Cc1nn(C2CCN(C2)C(=O)C=C)c2ncnc(N)c12

InChI Key: InChIKey=KEIPNCCJPRMIAX-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 2 PDB IDs match this monomer.

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 = 161388   

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 2 (Homo sapiens (Human))	BDBM161388 (US10124003, Ex. Compound 1 | US10835536, Ex. Comp ...) Show SMILES COc1cc(OC)cc(c1)C#Cc1nn(C2CCN(C2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.5	25
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description When setting conditions for the measurement of the inhibitory effect of the compounds on FGFR2 kinase activity, FL-Peptide 22 (Caliper Life Sciences,...				US Patent US9108973 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HJV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fibroblast growth factor receptor 2 (Homo sapiens (Human))	BDBM161388 (US10124003, Ex. Compound 1 | US10835536, Ex. Comp ...) Show SMILES COc1cc(OC)cc(c1)C#Cc1nn(C2CCN(C2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description When setting conditions for the measurement of the inhibitory effect of the compounds on FGFR2 kinase activity, FL-Peptide 22 (Caliper Life Sciences,...				US Patent US10894048 (2021)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fibroblast growth factor receptor 2 (Homo sapiens (Human))	BDBM161388 (US10124003, Ex. Compound 1 | US10835536, Ex. Comp ...) Show SMILES COc1cc(OC)cc(c1)C#Cc1nn(C2CCN(C2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description When setting conditions for the measurement of the inhibitory effect of the compounds on FGFR2 kinase activity, FL-Peptide 22 (Caliper Life Sciences,...				US Patent US10835536 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fibroblast growth factor receptor 2 (Homo sapiens (Human))	BDBM161388 (US10124003, Ex. Compound 1 | US10835536, Ex. Comp ...) Show SMILES COc1cc(OC)cc(c1)C#Cc1nn(C2CCN(C2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description When setting conditions for the measurement of the inhibitory effect of the compounds on FGFR2 kinase activity, FL-Peptide 22 (Caliper Life Sciences,...				US Patent US10124003 (2018) BindingDB Entry DOI: 10.7270/Q2B27XBQ
					More data for this Ligand-Target Pair				3D Structure (crystal)