BDBM50072738 CHEMBL3410046

SMILES: COc1ccccc1N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12

InChI Key: InChIKey=XSFHUPCPTPMEMU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50072738   

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))	BDBM50072738 (CHEMBL3410046) Show SMILES COc1ccccc1N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12 Show InChI InChI=1S/C23H23N5O3/c1-15-13-24-22-20(15)21(25-14-26-22)16-7-9-17(10-8-16)27-23(30)28(11-12-29)18-5-3-4-6-19(18)31-2/h3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of human ROCK2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK peptide substrate, ATP and [gamma33P]ATP				J Med Chem 58: 1846-61 (2015) Article DOI: 10.1021/jm501680m BindingDB Entry DOI: 10.7270/Q2K64KRC
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50072738 (CHEMBL3410046) Show SMILES COc1ccccc1N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12 Show InChI InChI=1S/C23H23N5O3/c1-15-13-24-22-20(15)21(25-14-26-22)16-7-9-17(10-8-16)27-23(30)28(11-12-29)18-5-3-4-6-19(18)31-2/h3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	913	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP				J Med Chem 58: 1846-61 (2015) Article DOI: 10.1021/jm501680m BindingDB Entry DOI: 10.7270/Q2K64KRC
					More data for this Ligand-Target Pair