BDBM50529458 CHEMBL4557065

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

InChI Key: InChIKey=FCHSPYQBYVKMQM-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50529458   

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 (Homo sapiens (Human))	BDBM50529458 (CHEMBL4557065) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)C#CC)cc2OC)nc2[nH]ccc12 Show InChI InChI=1S/C26H25N7O3/c1-4-7-22(34)29-15-16-10-11-20(21(14-16)36-3)31-26-32-23-18(12-13-28-23)24(33-26)30-19-9-6-5-8-17(19)25(35)27-2/h5-6,8-14H,15H2,1-3H3,(H,27,35)(H,29,34)(H3,28,30,31,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+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 100 mins 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))	BDBM50529458 (CHEMBL4557065) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)C#CC)cc2OC)nc2[nH]ccc12 Show InChI InChI=1S/C26H25N7O3/c1-4-7-22(34)29-15-16-10-11-20(21(14-16)36-3)31-26-32-23-18(12-13-28-23)24(33-26)30-19-9-6-5-8-17(19)25(35)27-2/h5-6,8-14H,15H2,1-3H3,(H,27,35)(H,29,34)(H3,28,30,31,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+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
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50529458 (CHEMBL4557065) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)C#CC)cc2OC)nc2[nH]ccc12 Show InChI InChI=1S/C26H25N7O3/c1-4-7-22(34)29-15-16-10-11-20(21(14-16)36-3)31-26-32-23-18(12-13-28-23)24(33-26)30-19-9-6-5-8-17(19)25(35)27-2/h5-6,8-14H,15H2,1-3H3,(H,27,35)(H,29,34)(H3,28,30,31,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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 human GRK5 using tubulin as substrate measured after 0 mins 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 (Bos taurus)	BDBM50529458 (CHEMBL4557065) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)C#CC)cc2OC)nc2[nH]ccc12 Show InChI InChI=1S/C26H25N7O3/c1-4-7-22(34)29-15-16-10-11-20(21(14-16)36-3)31-26-32-23-18(12-13-28-23)24(33-26)30-19-9-6-5-8-17(19)25(35)27-2/h5-6,8-14H,15H2,1-3H3,(H,27,35)(H,29,34)(H3,28,30,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	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)	BDBM50529458 (CHEMBL4557065) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)C#CC)cc2OC)nc2[nH]ccc12 Show InChI InChI=1S/C26H25N7O3/c1-4-7-22(34)29-15-16-10-11-20(21(14-16)36-3)31-26-32-23-18(12-13-28-23)24(33-26)30-19-9-6-5-8-17(19)25(35)27-2/h5-6,8-14H,15H2,1-3H3,(H,27,35)(H,29,34)(H3,28,30,31,32,33)	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