BDBM50238075 CHEMBL4103188

SMILES: CNC(=O)Cn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12

InChI Key: InChIKey=QCWDLALWOCJZPV-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 = 50238075   

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))	BDBM50238075 (CHEMBL4103188) Show SMILES CNC(=O)Cn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12 Show InChI InChI=1S/C22H21FN6O/c1-13-4-5-16(23)15(8-13)19-9-18(14(2)10-26-19)28-17-6-7-25-20-11-27-29(22(17)20)12-21(30)24-3/h4-11H,12H2,1-3H3,(H,24,30)(H,25,26,28)	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	16	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))	BDBM50238075 (CHEMBL4103188) Show SMILES CNC(=O)Cn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12 Show InChI InChI=1S/C22H21FN6O/c1-13-4-5-16(23)15(8-13)19-9-18(14(2)10-26-19)28-17-6-7-25-20-11-27-29(22(17)20)12-21(30)24-3/h4-11H,12H2,1-3H3,(H,24,30)(H,25,26,28)	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	1.59E+3	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))	BDBM50238075 (CHEMBL4103188) Show SMILES CNC(=O)Cn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12 Show InChI InChI=1S/C22H21FN6O/c1-13-4-5-16(23)15(8-13)19-9-18(14(2)10-26-19)28-17-6-7-25-20-11-27-29(22(17)20)12-21(30)24-3/h4-11H,12H2,1-3H3,(H,24,30)(H,25,26,28)	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	126	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of ALK5 (unknown origin) expressed in SBE-bla HEK293T cells assessed as decrease in TGFbeta1-induced Smad2/3 phosphorylation by beta lacta...				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