BDBM15868 6-chloro-9-hydroxy-1,3-dimethyl-1H,4H,9H-pyrazolo[3,4-b]quinolin-4-one::9-hydroxy pyrazoloquinolinone 1

SMILES: Cc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12

InChI Key: InChIKey=AYKGPCNWPACUQV-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 15868   

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
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM15868 (6-chloro-9-hydroxy-1,3-dimethyl-1H,4H,9H-pyrazolo[...) Show SMILES Cc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12 Show InChI InChI=1S/C12H10ClN3O2/c1-6-10-11(17)8-5-7(13)3-4-9(8)16(18)12(10)15(2)14-6/h3-5,18H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	7.2	20
Abbott Laboratories					Assay Description In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...				Bioorg Med Chem Lett 16: 2590-4 (2006) Article DOI: 10.1016/j.bmcl.2006.02.046 BindingDB Entry DOI: 10.7270/Q2XK8CSR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM15868 (6-chloro-9-hydroxy-1,3-dimethyl-1H,4H,9H-pyrazolo[...) Show SMILES Cc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12 Show InChI InChI=1S/C12H10ClN3O2/c1-6-10-11(17)8-5-7(13)3-4-9(8)16(18)12(10)15(2)14-6/h3-5,18H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	7.2	20
Abbott Laboratories					Assay Description In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...				Bioorg Med Chem Lett 16: 2590-4 (2006) Article DOI: 10.1016/j.bmcl.2006.02.046 BindingDB Entry DOI: 10.7270/Q2XK8CSR
					More data for this Ligand-Target Pair				3D Structure (crystal)