BDBM50238072 CHEMBL4104104

SMILES: CCn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12

InChI Key: InChIKey=DHSFEKNIGRATPA-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 = 50238072   

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))	BDBM50238072 (CHEMBL4104104) Show SMILES CCn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12 Show InChI InChI=1S/C21H20FN5/c1-4-27-21-17(7-8-23-20(21)12-25-27)26-18-10-19(24-11-14(18)3)15-9-13(2)5-6-16(15)22/h5-12H,4H2,1-3H3,(H,23,24,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	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))	BDBM50238072 (CHEMBL4104104) Show SMILES CCn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12 Show InChI InChI=1S/C21H20FN5/c1-4-27-21-17(7-8-23-20(21)12-25-27)26-18-10-19(24-11-14(18)3)15-9-13(2)5-6-16(15)22/h5-12H,4H2,1-3H3,(H,23,24,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Binding affinity against cytidine deaminase of mouse kidney				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))	BDBM50238072 (CHEMBL4104104) Show SMILES CCn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12 Show InChI InChI=1S/C21H20FN5/c1-4-27-21-17(7-8-23-20(21)12-25-27)26-18-10-19(24-11-14(18)3)15-9-13(2)5-6-16(15)22/h5-12H,4H2,1-3H3,(H,23,24,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	50	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