BDBM54226 (3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(4-chloro-3-nitrophenyl)methanone::(3-amino-7-methoxy-pyrazolo[3,4-b]quinolin-1-yl)-(4-chloro-3-nitro-phenyl)methanone::(3-amino-7-methoxypyrazolo[3,4-b]quinolin-1-yl)-(4-chloro-3-nitrophenyl)methanone::(3-azanyl-7-methoxy-pyrazolo[3,4-b]quinolin-1-yl)-(4-chloranyl-3-nitro-phenyl)methanone::1-(4-chloro-3-nitrobenzoyl)-7-methoxy-1H-pyrazolo[3,4-b]quinolin-3-amine::MLS000582480::SMR000206466::cid_12004545

SMILES: COc1ccc2cc3c(N)nn(C(=O)c4ccc(Cl)c(c4)[N+]([O-])=O)c3nc2c1

InChI Key: InChIKey=HMVMIYZPGBNYIM-UHFFFAOYSA-N

Data: 5 IC50  1 EC50

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 6 hits for monomerid = 54226   

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
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human))	BDBM54226 ((3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(4...) Show SMILES COc1ccc2cc3c(N)nn(C(=O)c4ccc(Cl)c(c4)[N+]([O-])=O)c3nc2c1 Show InChI InChI=1S/C18H12ClN5O4/c1-28-11-4-2-9-6-12-16(20)22-23(17(12)21-14(9)8-11)18(25)10-3-5-13(19)15(7-10)24(26)27/h2-8H,1H3,(H2,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T
					More data for this Ligand-Target Pair
neuronal munc18-1 binding protein (Rattus norvegicus)	BDBM54226 ((3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(4...) Show SMILES COc1ccc2cc3c(N)nn(C(=O)c4ccc(Cl)c(c4)[N+]([O-])=O)c3nc2c1 Show InChI InChI=1S/C18H12ClN5O4/c1-28-11-4-2-9-6-12-16(20)22-23(17(12)21-14(9)8-11)18(25)10-3-5-13(19)15(7-10)24(26)27/h2-8H,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20P0XFH
					More data for this Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1 (Homo sapiens (Human))	BDBM54226 ((3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(4...) Show SMILES COc1ccc2cc3c(N)nn(C(=O)c4ccc(Cl)c(c4)[N+]([O-])=O)c3nc2c1 Show InChI InChI=1S/C18H12ClN5O4/c1-28-11-4-2-9-6-12-16(20)22-23(17(12)21-14(9)8-11)18(25)10-3-5-13(19)15(7-10)24(26)27/h2-8H,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2V986KM
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM54226 ((3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(4...) Show SMILES COc1ccc2cc3c(N)nn(C(=O)c4ccc(Cl)c(c4)[N+]([O-])=O)c3nc2c1 Show InChI InChI=1S/C18H12ClN5O4/c1-28-11-4-2-9-6-12-16(20)22-23(17(12)21-14(9)8-11)18(25)10-3-5-13(19)15(7-10)24(26)27/h2-8H,1H3,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CN72C0
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM54226 ((3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(4...) Show SMILES COc1ccc2cc3c(N)nn(C(=O)c4ccc(Cl)c(c4)[N+]([O-])=O)c3nc2c1 Show InChI InChI=1S/C18H12ClN5O4/c1-28-11-4-2-9-6-12-16(20)22-23(17(12)21-14(9)8-11)18(25)10-3-5-13(19)15(7-10)24(26)27/h2-8H,1H3,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25M6443
					More data for this Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human))	BDBM54226 ((3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(4...) Show SMILES COc1ccc2cc3c(N)nn(C(=O)c4ccc(Cl)c(c4)[N+]([O-])=O)c3nc2c1 Show InChI InChI=1S/C18H12ClN5O4/c1-28-11-4-2-9-6-12-16(20)22-23(17(12)21-14(9)8-11)18(25)10-3-5-13(19)15(7-10)24(26)27/h2-8H,1H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2PZ578V
					More data for this Ligand-Target Pair