BDBM45362 2,3-dimethoxybenzoic acid (5-amino-1-tosyl-pyrazol-3-yl) ester::2,3-dimethoxybenzoic acid [5-amino-1-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester::5-amino-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-yl 2,3-dimethoxybenzoate::MLS000090440::SMR000025050::[5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 2,3-dimethoxybenzoate::[5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2,3-dimethoxybenzoate::cid_3236830

SMILES: COc1cccc(C(=O)Oc2cc(N)n(n2)S(=O)(=O)c2ccc(C)cc2)c1OC

InChI Key: InChIKey=GZUGWGQRRGTKKN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 45362   

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
Kallikrein 5 (Homo sapiens (Human))	BDBM45362 (2,3-dimethoxybenzoic acid (5-amino-1-tosyl-pyrazol...) Show SMILES COc1cccc(C(=O)Oc2cc(N)n(n2)S(=O)(=O)c2ccc(C)cc2)c1OC Show InChI InChI=1S/C19H19N3O6S/c1-12-7-9-13(10-8-12)29(24,25)22-16(20)11-17(21-22)28-19(23)14-5-4-6-15(26-2)18(14)27-3/h4-11H,20H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GH9GC8
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM45362 (2,3-dimethoxybenzoic acid (5-amino-1-tosyl-pyrazol...) Show SMILES COc1cccc(C(=O)Oc2cc(N)n(n2)S(=O)(=O)c2ccc(C)cc2)c1OC Show InChI InChI=1S/C19H19N3O6S/c1-12-7-9-13(10-8-12)29(24,25)22-16(20)11-17(21-22)28-19(23)14-5-4-6-15(26-2)18(14)27-3/h4-11H,20H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21G0JQS
					More data for this Ligand-Target Pair