BDBM50238062 CHEMBL4075081

SMILES: CCNC(=O)n1ncc2nccc(Nc3ccnc(c3)-c3cc(F)ccc3F)c12

InChI Key: InChIKey=VTZBBQMFTROBRY-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

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 3 hits for monomerid = 50238062   

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))	BDBM50238062 (CHEMBL4075081) Show SMILES CCNC(=O)n1ncc2nccc(Nc3ccnc(c3)-c3cc(F)ccc3F)c12 Show InChI InChI=1S/C20H16F2N6O/c1-2-23-20(29)28-19-16(6-8-25-18(19)11-26-28)27-13-5-7-24-17(10-13)14-9-12(21)3-4-15(14)22/h3-11H,2H2,1H3,(H,23,29)(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Takeda California Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST tagged human ALK5 (200 to 503 residues) expressed in baculovirus expression system using FAM-NH2-KVLTQMGSPSI...				Bioorg Med Chem Lett 27: 1955-1961 (2017) Article DOI: 10.1016/j.bmcl.2017.03.026 BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50238062 (CHEMBL4075081) Show SMILES CCNC(=O)n1ncc2nccc(Nc3ccnc(c3)-c3cc(F)ccc3F)c12 Show InChI InChI=1S/C20H16F2N6O/c1-2-23-20(29)28-19-16(6-8-25-18(19)11-26-28)27-13-5-7-24-17(10-13)14-9-12(21)3-4-15(14)22/h3-11H,2H2,1H3,(H,23,29)(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of ALK5 in human Calu6 cells assessed as reduction in Smad2/3 phosphorylation				Bioorg Med Chem Lett 27: 1955-1961 (2017) Article DOI: 10.1016/j.bmcl.2017.03.026 BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50238062 (CHEMBL4075081) Show SMILES CCNC(=O)n1ncc2nccc(Nc3ccnc(c3)-c3cc(F)ccc3F)c12 Show InChI InChI=1S/C20H16F2N6O/c1-2-23-20(29)28-19-16(6-8-25-18(19)11-26-28)27-13-5-7-24-17(10-13)14-9-12(21)3-4-15(14)22/h3-11H,2H2,1H3,(H,23,29)(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of Angiotensin I converting enzyme				Bioorg Med Chem Lett 27: 1955-1961 (2017) Article DOI: 10.1016/j.bmcl.2017.03.026 BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
					More data for this Ligand-Target Pair