BDBM50253761 CHEMBL4081417

SMILES: Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)N1CCOCC1

InChI Key: InChIKey=PURUKQSHGWZISI-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 = 50253761   

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))	BDBM50253761 (CHEMBL4081417) Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)N1CCOCC1 Show InChI InChI=1S/C14H15N5O2S/c1-8-9(7-15-18-8)11-6-10-12(22-11)13(20)17-14(16-10)19-2-4-21-5-3-19/h6-7H,2-5H2,1H3,(H,15,18)(H,16,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+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
CDC7 and DBF4 (Homo sapiens (Human))	BDBM50253761 (CHEMBL4081417) Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)N1CCOCC1 Show InChI InChI=1S/C14H15N5O2S/c1-8-9(7-15-18-8)11-6-10-12(22-11)13(20)17-14(16-10)19-2-4-21-5-3-19/h6-7H,2-5H2,1H3,(H,15,18)(H,16,17,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	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
CDK2/CycE (Homo sapiens (Human))	BDBM50253761 (CHEMBL4081417) Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)N1CCOCC1 Show InChI InChI=1S/C14H15N5O2S/c1-8-9(7-15-18-8)11-6-10-12(22-11)13(20)17-14(16-10)19-2-4-21-5-3-19/h6-7H,2-5H2,1H3,(H,15,18)(H,16,17,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 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