null

SMILES: COc1ccc(Cn2cnc3sc(cc3c2=O)-c2ccnc(N)c2)cc1OC

InChI Key: InChIKey=CYKUHSARNYJROC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50541293   

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 2 (Homo sapiens (Human))	BDBM50541293 (CHEMBL4637847) Show SMILES COc1ccc(Cn2cnc3sc(cc3c2=O)-c2ccnc(N)c2)cc1OC Show InChI InChI=1S/C20H18N4O3S/c1-26-15-4-3-12(7-16(15)27-2)10-24-11-23-19-14(20(24)25)9-17(28-19)13-5-6-22-18(21)8-13/h3-9,11H,10H2,1-2H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50541293 (CHEMBL4637847) Show SMILES COc1ccc(Cn2cnc3sc(cc3c2=O)-c2ccnc(N)c2)cc1OC Show InChI InChI=1S/C20H18N4O3S/c1-26-15-4-3-12(7-16(15)27-2)10-24-11-23-19-14(20(24)25)9-17(28-19)13-5-6-22-18(21)8-13/h3-9,11H,10H2,1-2H3,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair