BDBM407025 (3S,4S)-4-amino-1-({4-[(3-fluoropyridin-4-yl)amino]-2-(pyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl}methyl)piperidin-3-ol::US10336761, Example 309

SMILES: N[C@H]1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)C[C@@H]1O

InChI Key: InChIKey=HUEXJRRSSHIGFJ-LPHOPBHVSA-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 = 407025   

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))	BDBM407025 ((3S,4S)-4-amino-1-({4-[(3-fluoropyridin-4-yl)amino...) Show SMILES N[C@H]1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)C[C@@H]1O |r| Show InChI InChI=1S/C22H23FN8O/c23-15-11-25-8-4-17(15)27-22-20-14(12-30-9-6-16(24)19(32)13-30)5-10-31(20)29-21(28-22)18-3-1-2-7-26-18/h1-5,7-8,10-11,16,19,32H,6,9,12-13,24H2,(H,25,27,28,29)/t16-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. 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 US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM407025 ((3S,4S)-4-amino-1-({4-[(3-fluoropyridin-4-yl)amino...) Show SMILES N[C@H]1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)C[C@@H]1O |r| Show InChI InChI=1S/C22H23FN8O/c23-15-11-25-8-4-17(15)27-22-20-14(12-30-9-6-16(24)19(32)13-30)5-10-31(20)29-21(28-22)18-3-1-2-7-26-18/h1-5,7-8,10-11,16,19,32H,6,9,12-13,24H2,(H,25,27,28,29)/t16-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	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
TGF-beta receptor type II (Homo sapiens (Human))	BDBM407025 ((3S,4S)-4-amino-1-({4-[(3-fluoropyridin-4-yl)amino...) Show SMILES N[C@H]1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)C[C@@H]1O |r| Show InChI InChI=1S/C22H23FN8O/c23-15-11-25-8-4-17(15)27-22-20-14(12-30-9-6-16(24)19(32)13-30)5-10-31(20)29-21(28-22)18-3-1-2-7-26-18/h1-5,7-8,10-11,16,19,32H,6,9,12-13,24H2,(H,25,27,28,29)/t16-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	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 II (Homo sapiens (Human))	BDBM407025 ((3S,4S)-4-amino-1-({4-[(3-fluoropyridin-4-yl)amino...) Show SMILES N[C@H]1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)C[C@@H]1O |r| Show InChI InChI=1S/C22H23FN8O/c23-15-11-25-8-4-17(15)27-22-20-14(12-30-9-6-16(24)19(32)13-30)5-10-31(20)29-21(28-22)18-3-1-2-7-26-18/h1-5,7-8,10-11,16,19,32H,6,9,12-13,24H2,(H,25,27,28,29)/t16-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. 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 US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair