BDBM50072666 CHEMBL3410041

SMILES: Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(Cl)c4)cc3)c12

InChI Key: InChIKey=VUTKLNPFXCDBAP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50072666   

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
LIM domain kinase 1 (Rattus norvegicus)	BDBM50072666 (CHEMBL3410041) Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(Cl)c4)cc3)c12 Show InChI InChI=1S/C22H20ClN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-5-7-17(8-6-15)27-22(30)28(9-10-29)18-4-2-3-16(23)11-18/h2-8,11-13,29H,9-10H2,1H3,(H,27,30)(H,24,25,26)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	372	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of Limk1 in rat A7r5 cells assessed as reduction in cofilin phosphorylation by Western blot method				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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50072666 (CHEMBL3410041) Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(Cl)c4)cc3)c12 Show InChI InChI=1S/C22H20ClN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-5-7-17(8-6-15)27-22(30)28(9-10-29)18-4-2-3-16(23)11-18/h2-8,11-13,29H,9-10H2,1H3,(H,27,30)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of human ROCK1 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
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50072666 (CHEMBL3410041) Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(Cl)c4)cc3)c12 Show InChI InChI=1S/C22H20ClN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-5-7-17(8-6-15)27-22(30)28(9-10-29)18-4-2-3-16(23)11-18/h2-8,11-13,29H,9-10H2,1H3,(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	1.13E+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))	BDBM50072666 (CHEMBL3410041) Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(Cl)c4)cc3)c12 Show InChI InChI=1S/C22H20ClN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-5-7-17(8-6-15)27-22(30)28(9-10-29)18-4-2-3-16(23)11-18/h2-8,11-13,29H,9-10H2,1H3,(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	67	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