BDBM50260142 CHEMBL4079362

SMILES: Cn1ccc(CNC(=O)c2cc(ccc2F)[C@@H]2CCNC[C@H]2COc2ccc3OCOc3c2)n1

InChI Key: InChIKey=HDCYRUYOTFECSQ-PXNSSMCTSA-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 = 50260142   

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
Rhodopsin kinase (Bos taurus)	BDBM50260142 (CHEMBL4079362) Show SMILES Cn1ccc(CNC(=O)c2cc(ccc2F)[C@@H]2CCNC[C@H]2COc2ccc3OCOc3c2)n1 |r| Show InChI InChI=1S/C25H27FN4O4/c1-30-9-7-18(29-30)13-28-25(31)21-10-16(2-4-22(21)26)20-6-8-27-12-17(20)14-32-19-3-5-23-24(11-19)34-15-33-23/h2-5,7,9-11,17,20,27H,6,8,12-15H2,1H3,(H,28,31)/t17-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 (1 to 535 residues) after 5 mins after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Bos taurus)	BDBM50260142 (CHEMBL4079362) Show SMILES Cn1ccc(CNC(=O)c2cc(ccc2F)[C@@H]2CCNC[C@H]2COc2ccc3OCOc3c2)n1 |r| Show InChI InChI=1S/C25H27FN4O4/c1-30-9-7-18(29-30)13-28-25(31)21-10-16(2-4-22(21)26)20-6-8-27-12-17(20)14-32-19-3-5-23-24(11-19)34-15-33-23/h2-5,7,9-11,17,20,27H,6,8,12-15H2,1H3,(H,28,31)/t17-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK2 S670A mutant after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Bos taurus)	BDBM50260142 (CHEMBL4079362) Show SMILES Cn1ccc(CNC(=O)c2cc(ccc2F)[C@@H]2CCNC[C@H]2COc2ccc3OCOc3c2)n1 |r| Show InChI InChI=1S/C25H27FN4O4/c1-30-9-7-18(29-30)13-28-25(31)21-10-16(2-4-22(21)26)20-6-8-27-12-17(20)14-32-19-3-5-23-24(11-19)34-15-33-23/h2-5,7,9-11,17,20,27H,6,8,12-15H2,1H3,(H,28,31)/t17-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Binding affinity towards norepinephrine transporter determined using [3H]nisoxetine as radioligand				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair