BDBM50253752 CHEMBL4099435

SMILES: CCOCc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C

InChI Key: InChIKey=VXSGZZXOXLGGSG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50253752   

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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50253752 (CHEMBL4099435) Show SMILES CCOCc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C Show InChI InChI=1S/C13H14N4O2S/c1-3-19-6-11-15-9-4-10(8-5-14-17-7(8)2)20-12(9)13(18)16-11/h4-5H,3,6H2,1-2H3,(H,14,17)(H,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ROCK1 catalytic domain (1 to 477 residues) expressed in baculovirus expression system using Bio...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM50253752 (CHEMBL4099435) Show SMILES CCOCc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C Show InChI InChI=1S/C13H14N4O2S/c1-3-19-6-11-15-9-4-10(8-5-14-17-7(8)2)20-12(9)13(18)16-11/h4-5H,3,6H2,1-2H3,(H,14,17)(H,15,16,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of full length human CDC2 (1 to 298 residues)/human N-terminal GST-tagged CyclinE1 (1 to 410 residues) expressed in baculovirus expression...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
					More data for this Ligand-Target Pair
CDC7 and DBF4 (Homo sapiens (Human))	BDBM50253752 (CHEMBL4099435) Show SMILES CCOCc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C Show InChI InChI=1S/C13H14N4O2S/c1-3-19-6-11-15-9-4-10(8-5-14-17-7(8)2)20-12(9)13(18)16-11/h4-5H,3,6H2,1-2H3,(H,14,17)(H,15,16,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus exp...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
					More data for this Ligand-Target Pair