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SMILES: COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)c1

InChI Key: InChIKey=KAWWWOFUKPBPQJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50541283   

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))	BDBM50541283 (CHEMBL4638815) Show SMILES COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)c1 Show InChI InChI=1S/C21H16N4O2S/c1-27-14-4-2-3-13(9-14)11-25-12-24-20-17(21(25)26)10-18(28-20)15-5-7-22-19-16(15)6-8-23-19/h2-10,12H,11H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1	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))	BDBM50541283 (CHEMBL4638815) Show SMILES COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)c1 Show InChI InChI=1S/C21H16N4O2S/c1-27-14-4-2-3-13(9-14)11-25-12-24-20-17(21(25)26)10-18(28-20)15-5-7-22-19-16(15)6-8-23-19/h2-10,12H,11H2,1H3,(H,22,23)	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	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