BDBM172453 US9090625, 5::US9260450, 5::US9938289, 5

SMILES: Cc1cccc(n1)-n1nc2CCCc2c1-c1cc2cnccc2s1

InChI Key: InChIKey=JQKNNVYRFRWQST-UHFFFAOYSA-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 = 172453   

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))	BDBM172453 (US9090625, 5 | US9260450, 5 | US9938289, 5) Show SMILES Cc1cccc(n1)-n1nc2CCCc2c1-c1cc2cnccc2s1 Show InChI InChI=1S/C19H16N4S/c1-12-4-2-7-18(21-12)23-19(14-5-3-6-15(14)22-23)17-10-13-11-20-9-8-16(13)24-17/h2,4,7-11H,3,5-6H2,1H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.9	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))	BDBM172453 (US9090625, 5 | US9260450, 5 | US9938289, 5) Show SMILES Cc1cccc(n1)-n1nc2CCCc2c1-c1cc2cnccc2s1 Show InChI InChI=1S/C19H16N4S/c1-12-4-2-7-18(21-12)23-19(14-5-3-6-15(14)22-23)17-10-13-11-20-9-8-16(13)24-17/h2,4,7-11H,3,5-6H2,1H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21.8	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))	BDBM172453 (US9090625, 5 | US9260450, 5 | US9938289, 5) Show SMILES Cc1cccc(n1)-n1nc2CCCc2c1-c1cc2cnccc2s1 Show InChI InChI=1S/C19H16N4S/c1-12-4-2-7-18(21-12)23-19(14-5-3-6-15(14)22-23)17-10-13-11-20-9-8-16(13)24-17/h2,4,7-11H,3,5-6H2,1H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30.8	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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM172453 (US9090625, 5 | US9260450, 5 | US9938289, 5) Show SMILES Cc1cccc(n1)-n1nc2CCCc2c1-c1cc2cnccc2s1 Show InChI InChI=1S/C19H16N4S/c1-12-4-2-7-18(21-12)23-19(14-5-3-6-15(14)22-23)17-10-13-11-20-9-8-16(13)24-17/h2,4,7-11H,3,5-6H2,1H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.9	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