BDBM72759 2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole::2-methyl-3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1H-indole::2-methyl-3-[[4-(2-pyridyl)piperazino]methyl]-1H-indole::2-methyl-3-{[4-(2-pyridinyl)piperazino]methyl}-1H-indole::MLS000860449::SMR000458533::cid_2813100

SMILES: Cc1[nH]c2ccccc2c1CN1CCN(CC1)c1ccccn1

InChI Key: InChIKey=ZAXKSLQZANTESC-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 72759   

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
Acidic mammalian chitinase (AMCase) (Homo sapiens (Human))	BDBM72759 (2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-...) Show SMILES Cc1[nH]c2ccccc2c1CN1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C19H22N4/c1-15-17(16-6-2-3-7-18(16)21-15)14-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h2-9,21H,10-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of acidic mammalian chitinase after 60 mins				J Med Chem 53: 6122-8 (2010) Article DOI: 10.1021/jm100533p BindingDB Entry DOI: 10.7270/Q22N538H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hsf1 protein (Mus musculus)	BDBM72759 (2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-...) Show SMILES Cc1[nH]c2ccccc2c1CN1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C19H22N4/c1-15-17(16-6-2-3-7-18(16)21-15)14-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h2-9,21H,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase PC cid PC sid PDB UniChem	PCBioAssay	n/a	n/a	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK
					More data for this Ligand-Target Pair