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SMILES: Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F

InChI Key: InChIKey=KNTWBIUWHSYQJE-UHFFFAOYSA-N

PDB links: 1 PDB ID matches 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 5 hits for monomerid = 412745   

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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM412745 (N-(3-fluoropyridin-4-yl)-2-(6-(trifluoromethyl)pyr...) Show SMILES Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C17H10F4N6/c18-10-8-22-6-5-11(10)25-15-9-4-7-23-14(9)26-16(27-15)12-2-1-3-13(24-12)17(19,20)21/h1-8H,(H2,22,23,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PDB UniChem	PDB Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay				Bioorg Med Chem 26: 1026-1034 (2018) Article DOI: 10.1016/j.bmc.2018.01.014 BindingDB Entry DOI: 10.7270/Q27M0BHV
					More data for this Ligand-Target Pair				3D Structure (crystal)
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM412745 (N-(3-fluoropyridin-4-yl)-2-(6-(trifluoromethyl)pyr...) Show SMILES Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C17H10F4N6/c18-10-8-22-6-5-11(10)25-15-9-4-7-23-14(9)26-16(27-15)12-2-1-3-13(24-12)17(19,20)21/h1-8H,(H2,22,23,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PDB UniChem	US Patent	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myer Squibb Company US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10399987 (2019) BindingDB Entry DOI: 10.7270/Q2222X4N
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM412745 (N-(3-fluoropyridin-4-yl)-2-(6-(trifluoromethyl)pyr...) Show SMILES Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C17H10F4N6/c18-10-8-22-6-5-11(10)25-15-9-4-7-23-14(9)26-16(27-15)12-2-1-3-13(24-12)17(19,20)21/h1-8H,(H2,22,23,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PDB UniChem	PDB US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myer Squibb Company US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10399987 (2019) BindingDB Entry DOI: 10.7270/Q2222X4N
					More data for this Ligand-Target Pair				3D Structure (crystal)
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM412745 (N-(3-fluoropyridin-4-yl)-2-(6-(trifluoromethyl)pyr...) Show SMILES Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C17H10F4N6/c18-10-8-22-6-5-11(10)25-15-9-4-7-23-14(9)26-16(27-15)12-2-1-3-13(24-12)17(19,20)21/h1-8H,(H2,22,23,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PDB UniChem	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of wild type His-tagged TGFbetaR2 (unknown origin) after 1 hr by HTRF assay				Bioorg Med Chem 26: 1026-1034 (2018) Article DOI: 10.1016/j.bmc.2018.01.014 BindingDB Entry DOI: 10.7270/Q27M0BHV
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM412745 (N-(3-fluoropyridin-4-yl)-2-(6-(trifluoromethyl)pyr...) Show SMILES Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C17H10F4N6/c18-10-8-22-6-5-11(10)25-15-9-4-7-23-14(9)26-16(27-15)12-2-1-3-13(24-12)17(19,20)21/h1-8H,(H2,22,23,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PDB UniChem	PDB Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay				Bioorg Med Chem 26: 1026-1034 (2018) Article DOI: 10.1016/j.bmc.2018.01.014 BindingDB Entry DOI: 10.7270/Q27M0BHV
					More data for this Ligand-Target Pair				3D Structure (crystal)