BDBM172452 US9090625, 4::US9260450, 4::US9938289, 4

SMILES: CCc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1

InChI Key: InChIKey=NIQVUPWBHUGPKD-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 172452   

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))	BDBM172452 (US9090625, 4 | US9260450, 4 | US9938289, 4) Show SMILES CCc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1 Show InChI InChI=1S/C18H16N4S/c1-3-13-11-20-22(17-6-4-5-12(2)21-17)18(13)16-9-14-10-19-8-7-15(14)23-16/h4-11H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.33	n/a	n/a	n/a	n/a	n/a	n/a
THESAN PHARMACEUTICALS, INC. US Patent					Assay Description Pharmacol 2002, 62 58-62) The compounds named in the specified Examples were tested as follows for inhibition of ALK-5 autophosphorylation activity a...				US Patent US9090625 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MRM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM172452 (US9090625, 4 | US9260450, 4 | US9938289, 4) Show SMILES CCc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1 Show InChI InChI=1S/C18H16N4S/c1-3-13-11-20-22(17-6-4-5-12(2)21-17)18(13)16-9-14-10-19-8-7-15(14)23-16/h4-11H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.33	n/a	n/a	n/a	n/a	7.6	4
THESAN PHARMACEUTICALS, INC. US Patent					Assay Description In a 96 well filter-bottom plate (Millipore, #MSDV N6B 50), 58 ul Assay Buffer (50 mM HEPES, pH 7.6, with 10 mM NaCl, 10 mM MgCl2, and 1 mM DTT ) is ...				US Patent US9260450 (2016) BindingDB Entry DOI: 10.7270/Q2M32TM0
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM172452 (US9090625, 4 | US9260450, 4 | US9938289, 4) Show SMILES CCc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1 Show InChI InChI=1S/C18H16N4S/c1-3-13-11-20-22(17-6-4-5-12(2)21-17)18(13)16-9-14-10-19-8-7-15(14)23-16/h4-11H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of ALK5 (unknown origin)				Bioorg Med Chem Lett 29: 2070-2075 (2019) Article DOI: 10.1016/j.bmcl.2019.07.015
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM172452 (US9090625, 4 | US9260450, 4 | US9938289, 4) Show SMILES CCc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1 Show InChI InChI=1S/C18H16N4S/c1-3-13-11-20-22(17-6-4-5-12(2)21-17)18(13)16-9-14-10-19-8-7-15(14)23-16/h4-11H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.92	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company					Assay Description ALK-5 kinase assay methods have been described in the art (see e.g., Laping et al. (2002) Mol. Pharmacol. 2002; 62: 58-62). The compounds named in th...				Bioorg Med Chem 17: 284-94 (2009) BindingDB Entry DOI: 10.7270/Q25M682V
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM172452 (US9090625, 4 | US9260450, 4 | US9938289, 4) Show SMILES CCc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1 Show InChI InChI=1S/C18H16N4S/c1-3-13-11-20-22(17-6-4-5-12(2)21-17)18(13)16-9-14-10-19-8-7-15(14)23-16/h4-11H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21.5	n/a	n/a	n/a	n/a	n/a	n/a
THESAN PHARMACEUTICALS, INC. US Patent					Assay Description ALK-5 gene reporter assay methods have been described in the art (see e.g., Maliekal et al. (2004) J Biol Chem 279(35):36287-36292). The compounds na...				US Patent US9260450 (2016) BindingDB Entry DOI: 10.7270/Q2M32TM0
					More data for this Ligand-Target Pair