BDBM50529465 CHEMBL4464632

SMILES: COc1cc(NC(=O)C=C)ccc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1

InChI Key: InChIKey=PYFNYNPQSUXBGV-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50529465   

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))	BDBM50529465 (CHEMBL4464632) Show SMILES COc1cc(NC(=O)C=C)ccc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C23H21N7O3/c1-3-19(31)26-13-8-9-17(18(12-13)33-2)28-23-29-21-15(10-11-25-21)22(30-23)27-16-7-5-4-6-14(16)20(24)32/h3-12H,1H2,2H3,(H2,24,32)(H,26,31)(H3,25,27,28,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	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
Rhodopsin kinase (Bos taurus)	BDBM50529465 (CHEMBL4464632) Show SMILES COc1cc(NC(=O)C=C)ccc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C23H21N7O3/c1-3-19(31)26-13-8-9-17(18(12-13)33-2)28-23-29-21-15(10-11-25-21)22(30-23)27-16-7-5-4-6-14(16)20(24)32/h3-12H,1H2,2H3,(H2,24,32)(H,26,31)(H3,25,27,28,29,30)	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 GRK1 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)	BDBM50529465 (CHEMBL4464632) Show SMILES COc1cc(NC(=O)C=C)ccc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C23H21N7O3/c1-3-19(31)26-13-8-9-17(18(12-13)33-2)28-23-29-21-15(10-11-25-21)22(30-23)27-16-7-5-4-6-14(16)20(24)32/h3-12H,1H2,2H3,(H2,24,32)(H,26,31)(H3,25,27,28,29,30)	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))	BDBM50529465 (CHEMBL4464632) Show SMILES COc1cc(NC(=O)C=C)ccc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C23H21N7O3/c1-3-19(31)26-13-8-9-17(18(12-13)33-2)28-23-29-21-15(10-11-25-21)22(30-23)27-16-7-5-4-6-14(16)20(24)32/h3-12H,1H2,2H3,(H2,24,32)(H,26,31)(H3,25,27,28,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+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 60 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))	BDBM50529465 (CHEMBL4464632) Show SMILES COc1cc(NC(=O)C=C)ccc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C23H21N7O3/c1-3-19(31)26-13-8-9-17(18(12-13)33-2)28-23-29-21-15(10-11-25-21)22(30-23)27-16-7-5-4-6-14(16)20(24)32/h3-12H,1H2,2H3,(H2,24,32)(H,26,31)(H3,25,27,28,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+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 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 (Homo sapiens (Human))	BDBM50529465 (CHEMBL4464632) Show SMILES COc1cc(NC(=O)C=C)ccc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C23H21N7O3/c1-3-19(31)26-13-8-9-17(18(12-13)33-2)28-23-29-21-15(10-11-25-21)22(30-23)27-16-7-5-4-6-14(16)20(24)32/h3-12H,1H2,2H3,(H2,24,32)(H,26,31)(H3,25,27,28,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+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 30 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)	BDBM50529465 (CHEMBL4464632) Show SMILES COc1cc(NC(=O)C=C)ccc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C23H21N7O3/c1-3-19(31)26-13-8-9-17(18(12-13)33-2)28-23-29-21-15(10-11-25-21)22(30-23)27-16-7-5-4-6-14(16)20(24)32/h3-12H,1H2,2H3,(H2,24,32)(H,26,31)(H3,25,27,28,29,30)	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 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