BDBM50187997 1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea::CHEMBL213504

SMILES: Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12

InChI Key: InChIKey=KIXJPVWFCZCXOL-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50187997   

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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50187997 (1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...) Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12 Show InChI InChI=1S/C19H13F3N6OS/c20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-6-4-10(5-7-12)15-14-16(23)24-9-25-17(14)30-28-15/h1-9H,(H2,23,24,25)(H2,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR by cellular assay				Bioorg Med Chem Lett 16: 4326-30 (2006) Article DOI: 10.1016/j.bmcl.2006.05.057 BindingDB Entry DOI: 10.7270/Q2W958S9
					More data for this Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50187997 (1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...) Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12 Show InChI InChI=1S/C19H13F3N6OS/c20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-6-4-10(5-7-12)15-14-16(23)24-9-25-17(14)30-28-15/h1-9H,(H2,23,24,25)(H2,26,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of FLT4				Bioorg Med Chem Lett 16: 4326-30 (2006) Article DOI: 10.1016/j.bmcl.2006.05.057 BindingDB Entry DOI: 10.7270/Q2W958S9
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50187997 (1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...) Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12 Show InChI InChI=1S/C19H13F3N6OS/c20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-6-4-10(5-7-12)15-14-16(23)24-9-25-17(14)30-28-15/h1-9H,(H2,23,24,25)(H2,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 16: 4326-30 (2006) Article DOI: 10.1016/j.bmcl.2006.05.057 BindingDB Entry DOI: 10.7270/Q2W958S9
					More data for this Ligand-Target Pair
Angiopoietin-1 receptor (Homo sapiens (Human))	BDBM50187997 (1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...) Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12 Show InChI InChI=1S/C19H13F3N6OS/c20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-6-4-10(5-7-12)15-14-16(23)24-9-25-17(14)30-28-15/h1-9H,(H2,23,24,25)(H2,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of TIE2				Bioorg Med Chem Lett 16: 4326-30 (2006) Article DOI: 10.1016/j.bmcl.2006.05.057 BindingDB Entry DOI: 10.7270/Q2W958S9
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50187997 (1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...) Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12 Show InChI InChI=1S/C19H13F3N6OS/c20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-6-4-10(5-7-12)15-14-16(23)24-9-25-17(14)30-28-15/h1-9H,(H2,23,24,25)(H2,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of FLT1				Bioorg Med Chem Lett 16: 4326-30 (2006) Article DOI: 10.1016/j.bmcl.2006.05.057 BindingDB Entry DOI: 10.7270/Q2W958S9
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50187997 (1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...) Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12 Show InChI InChI=1S/C19H13F3N6OS/c20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-6-4-10(5-7-12)15-14-16(23)24-9-25-17(14)30-28-15/h1-9H,(H2,23,24,25)(H2,26,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of CKIT				Bioorg Med Chem Lett 16: 4326-30 (2006) Article DOI: 10.1016/j.bmcl.2006.05.057 BindingDB Entry DOI: 10.7270/Q2W958S9
					More data for this Ligand-Target Pair