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SMILES: COc1cccc(CN2CCc3cc(ccc3C2=O)-c2ccc3[nH]ncc3c2)c1

InChI Key: InChIKey=XTPHWCDWCWGAAN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50541272   

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))	BDBM50541272 (CHEMBL4643620) Show SMILES COc1cccc(CN2CCc3cc(ccc3C2=O)-c2ccc3[nH]ncc3c2)c1 Show InChI InChI=1S/C24H21N3O2/c1-29-21-4-2-3-16(11-21)15-27-10-9-19-12-17(5-7-22(19)24(27)28)18-6-8-23-20(13-18)14-25-26-23/h2-8,11-14H,9-10,15H2,1H3,(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	2.06E+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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50541272 (CHEMBL4643620) Show SMILES COc1cccc(CN2CCc3cc(ccc3C2=O)-c2ccc3[nH]ncc3c2)c1 Show InChI InChI=1S/C24H21N3O2/c1-29-21-4-2-3-16(11-21)15-27-10-9-19-12-17(5-7-22(19)24(27)28)18-6-8-23-20(13-18)14-25-26-23/h2-8,11-14H,9-10,15H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50541272 (CHEMBL4643620) Show SMILES COc1cccc(CN2CCc3cc(ccc3C2=O)-c2ccc3[nH]ncc3c2)c1 Show InChI InChI=1S/C24H21N3O2/c1-29-21-4-2-3-16(11-21)15-27-10-9-19-12-17(5-7-22(19)24(27)28)18-6-8-23-20(13-18)14-25-26-23/h2-8,11-14H,9-10,15H2,1H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	632	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50541272 (CHEMBL4643620) Show SMILES COc1cccc(CN2CCc3cc(ccc3C2=O)-c2ccc3[nH]ncc3c2)c1 Show InChI InChI=1S/C24H21N3O2/c1-29-21-4-2-3-16(11-21)15-27-10-9-19-12-17(5-7-22(19)24(27)28)18-6-8-23-20(13-18)14-25-26-23/h2-8,11-14H,9-10,15H2,1H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	632	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