BDBM32820 1-benzotriazolyl-[4-(dimethylamino)phenyl]methanone::MLS000519114::SMR000129533::benzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone::cid_694547

SMILES: CN(C)c1ccc(cc1)C(=O)n1nnc2ccccc12

InChI Key: InChIKey=KDBJYASZCNEBLA-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 32820   

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
Coagulation factor XI (Homo sapiens (Human))	BDBM32820 (1-benzotriazolyl-[4-(dimethylamino)phenyl]methanon...) Show SMILES CN(C)c1ccc(cc1)C(=O)n1nnc2ccccc12 Show InChI InChI=1S/C15H14N4O/c1-18(2)12-9-7-11(8-10-12)15(20)19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	7.4	23
PCMD Curated by PubChem BioAssay					Assay Description Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2H993J6
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM32820 (1-benzotriazolyl-[4-(dimethylamino)phenyl]methanon...) Show SMILES CN(C)c1ccc(cc1)C(=O)n1nnc2ccccc12 Show InChI InChI=1S/C15H14N4O/c1-18(2)12-9-7-11(8-10-12)15(20)19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
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))	BDBM32820 (1-benzotriazolyl-[4-(dimethylamino)phenyl]methanon...) Show SMILES CN(C)c1ccc(cc1)C(=O)n1nnc2ccccc12 Show InChI InChI=1S/C15H14N4O/c1-18(2)12-9-7-11(8-10-12)15(20)19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+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