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SMILES: COc1cccc(Cn2cnc3cc(ccc3c2=O)-c2ccc3[nH]ncc3c2)c1

InChI Key: InChIKey=ZXBDPMWCZVSEDX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50541269   

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))	BDBM50541269 (CHEMBL4641760) Show SMILES COc1cccc(Cn2cnc3cc(ccc3c2=O)-c2ccc3[nH]ncc3c2)c1 Show InChI InChI=1S/C23H18N4O2/c1-29-19-4-2-3-15(9-19)13-27-14-24-22-11-17(5-7-20(22)23(27)28)16-6-8-21-18(10-16)12-25-26-21/h2-12,14H,13H2,1H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	88	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))	BDBM50541269 (CHEMBL4641760) Show SMILES COc1cccc(Cn2cnc3cc(ccc3c2=O)-c2ccc3[nH]ncc3c2)c1 Show InChI InChI=1S/C23H18N4O2/c1-29-19-4-2-3-15(9-19)13-27-14-24-22-11-17(5-7-20(22)23(27)28)16-6-8-21-18(10-16)12-25-26-21/h2-12,14H,13H2,1H3,(H,25,26)	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	3.11E+3	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