BDBM50257366 CHEMBL4082559

SMILES: COc1cccc(NCC(=O)N\N=C2/CCCc3cnccc23)c1

InChI Key: InChIKey=NKZKSFKCRMCQQH-HEHNFIMWSA-N

Data: 3 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 3 hits for monomerid = 50257366   

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
PKC alpha and beta-2 (Homo sapiens (Human))	BDBM50257366 (CHEMBL4082559) Show SMILES COc1cccc(NCC(=O)N\N=C2/CCCc3cnccc23)c1 Show InChI InChI=1S/C18H20N4O2/c1-24-15-6-3-5-14(10-15)20-12-18(23)22-21-17-7-2-4-13-11-19-9-8-16(13)17/h3,5-6,8-11,20H,2,4,7,12H2,1H3,(H,22,23)/b21-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human PKCalpha active using MBP as substrate after 60 mins in presence of [gamma-32]ATP by scintillation counting				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257366 (CHEMBL4082559) Show SMILES COc1cccc(NCC(=O)N\N=C2/CCCc3cnccc23)c1 Show InChI InChI=1S/C18H20N4O2/c1-24-15-6-3-5-14(10-15)20-12-18(23)22-21-17-7-2-4-13-11-19-9-8-16(13)17/h3,5-6,8-11,20H,2,4,7,12H2,1H3,(H,22,23)/b21-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50257366 (CHEMBL4082559) Show SMILES COc1cccc(NCC(=O)N\N=C2/CCCc3cnccc23)c1 Show InChI InChI=1S/C18H20N4O2/c1-24-15-6-3-5-14(10-15)20-12-18(23)22-21-17-7-2-4-13-11-19-9-8-16(13)17/h3,5-6,8-11,20H,2,4,7,12H2,1H3,(H,22,23)/b21-17+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ROCK2 catalytic domain (1 to 553 residues) expressed in baculovirus expression system using STK...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair