BDBM490075 US10968199, Example 1::US10968199, Example 30

SMILES: CCOC(=O)C1CC1c1cc(C(=O)Nc2cccc(n2)-c2nncn2C(C)C)c(F)cc1C

InChI Key: InChIKey=WJSQGROIWKHOKI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 490075   

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
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM490075 (US10968199, Example 1 | US10968199, Example 30) Show SMILES CCOC(=O)C1CC1c1cc(C(=O)Nc2cccc(n2)-c2nncn2C(C)C)c(F)cc1C Show InChI InChI=1S/C24H26FN5O3/c1-5-33-24(32)17-11-16(17)15-10-18(19(25)9-14(15)4)23(31)28-21-8-6-7-20(27-21)22-29-26-12-30(22)13(2)3/h6-10,12-13,16-17H,5,11H2,1-4H3,(H,27,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Enanta Pharmaceuticals, Inc. US Patent					Assay Description ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...				US Patent US10968199 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM490075 (US10968199, Example 1 | US10968199, Example 30) Show SMILES CCOC(=O)C1CC1c1cc(C(=O)Nc2cccc(n2)-c2nncn2C(C)C)c(F)cc1C Show InChI InChI=1S/C24H26FN5O3/c1-5-33-24(32)17-11-16(17)15-10-18(19(25)9-14(15)4)23(31)28-21-8-6-7-20(27-21)22-29-26-12-30(22)13(2)3/h6-10,12-13,16-17H,5,11H2,1-4H3,(H,27,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Enanta Pharmaceuticals, Inc. US Patent					Assay Description ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...				US Patent US10968199 (2021)
					More data for this Ligand-Target Pair