BDBM50529472 CHEMBL4578499

SMILES: CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)C=C)cc2OC)nc2[nH]ccc12

InChI Key: InChIKey=XXVNXOABVWEYIY-UHFFFAOYSA-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 = 50529472   

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
G protein-coupled receptor kinase 5 (Bos taurus)	BDBM50529472 (CHEMBL4578499) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)C=C)cc2OC)nc2[nH]ccc12 Show InChI InChI=1S/C25H25N7O3/c1-4-21(33)28-14-15-9-10-19(20(13-15)35-3)30-25-31-22-17(11-12-27-22)23(32-25)29-18-8-6-5-7-16(18)24(34)26-2/h4-13H,1,14H2,2-3H3,(H,26,34)(H,28,33)(H3,27,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of bovine GRK5 C474S mutant using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay				ACS Med Chem Lett 10: 1628-1634 (2019) Article DOI: 10.1021/acsmedchemlett.9b00365
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Bos taurus)	BDBM50529472 (CHEMBL4578499) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)C=C)cc2OC)nc2[nH]ccc12 Show InChI InChI=1S/C25H25N7O3/c1-4-21(33)28-14-15-9-10-19(20(13-15)35-3)30-25-31-22-17(11-12-27-22)23(32-25)29-18-8-6-5-7-16(18)24(34)26-2/h4-13H,1,14H2,2-3H3,(H,26,34)(H,28,33)(H3,27,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of bovine GRK2 using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay				ACS Med Chem Lett 10: 1628-1634 (2019) Article DOI: 10.1021/acsmedchemlett.9b00365
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50529472 (CHEMBL4578499) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)C=C)cc2OC)nc2[nH]ccc12 Show InChI InChI=1S/C25H25N7O3/c1-4-21(33)28-14-15-9-10-19(20(13-15)35-3)30-25-31-22-17(11-12-27-22)23(32-25)29-18-8-6-5-7-16(18)24(34)26-2/h4-13H,1,14H2,2-3H3,(H,26,34)(H,28,33)(H3,27,29,30,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human GRK5 using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay				ACS Med Chem Lett 10: 1628-1634 (2019) Article DOI: 10.1021/acsmedchemlett.9b00365
					More data for this Ligand-Target Pair