BDBM50097874 CHEMBL3589654

SMILES: CC(C)(C)c1ccc2[nH]c3c(c(nc4ccccc34)C(O)=O)c2c1

InChI Key: InChIKey=ADEPEJRBGJHFFA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50097874   

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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50097874 (CHEMBL3589654) Show SMILES CC(C)(C)c1ccc2[nH]c3c(c(nc4ccccc34)C(O)=O)c2c1 Show InChI InChI=1S/C20H18N2O2/c1-20(2,3)11-8-9-15-13(10-11)16-17(21-15)12-6-4-5-7-14(12)22-18(16)19(23)24/h4-10,21H,1-3H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK2 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50097874 (CHEMBL3589654) Show SMILES CC(C)(C)c1ccc2[nH]c3c(c(nc4ccccc34)C(O)=O)c2c1 Show InChI InChI=1S/C20H18N2O2/c1-20(2,3)11-8-9-15-13(10-11)16-17(21-15)12-6-4-5-7-14(12)22-18(16)19(23)24/h4-10,21H,1-3H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin)				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50097874 (CHEMBL3589654) Show SMILES CC(C)(C)c1ccc2[nH]c3c(c(nc4ccccc34)C(O)=O)c2c1 Show InChI InChI=1S/C20H18N2O2/c1-20(2,3)11-8-9-15-13(10-11)16-17(21-15)12-6-4-5-7-14(12)22-18(16)19(23)24/h4-10,21H,1-3H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM50097874 (CHEMBL3589654) Show SMILES CC(C)(C)c1ccc2[nH]c3c(c(nc4ccccc34)C(O)=O)c2c1 Show InChI InChI=1S/C20H18N2O2/c1-20(2,3)11-8-9-15-13(10-11)16-17(21-15)12-6-4-5-7-14(12)22-18(16)19(23)24/h4-10,21H,1-3H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair