BDBM50529467 CHEMBL4576822

SMILES: CNC(=O)c1ccccc1Nc1nc(Nc2cc(CNC(=O)\C=C\CN(C)C)ccc2OC)nc2[nH]ccc12

InChI Key: InChIKey=IWLRFWXNUSBHNA-JXMROGBWSA-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 = 50529467   

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
Beta-adrenergic receptor kinase 1 (Bos taurus)	BDBM50529467 (CHEMBL4576822) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cc(CNC(=O)\C=C\CN(C)C)ccc2OC)nc2[nH]ccc12 Show InChI InChI=1S/C28H32N8O3/c1-29-27(38)19-8-5-6-9-21(19)32-26-20-13-14-30-25(20)34-28(35-26)33-22-16-18(11-12-23(22)39-4)17-31-24(37)10-7-15-36(2)3/h5-14,16H,15,17H2,1-4H3,(H,29,38)(H,31,37)(H3,30,32,33,34,35)/b10-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	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))	BDBM50529467 (CHEMBL4576822) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cc(CNC(=O)\C=C\CN(C)C)ccc2OC)nc2[nH]ccc12 Show InChI InChI=1S/C28H32N8O3/c1-29-27(38)19-8-5-6-9-21(19)32-26-20-13-14-30-25(20)34-28(35-26)33-22-16-18(11-12-23(22)39-4)17-31-24(37)10-7-15-36(2)3/h5-14,16H,15,17H2,1-4H3,(H,29,38)(H,31,37)(H3,30,32,33,34,35)/b10-7+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+3	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