BDBM89401 MLS001126732::SMR000657962::[3-(3-hydroxypropyl)-1-piperidinyl]-[5-(5-isoquinolinyloxymethyl)-3-isoxazolyl]methanone::[3-(3-hydroxypropyl)piperidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone::[3-(3-hydroxypropyl)piperidino]-[5-(5-isoquinolyloxymethyl)isoxazol-3-yl]methanone::[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]-[3-(3-oxidanylpropyl)piperidin-1-yl]methanone::cid_24792035

SMILES: OCCCC1CCCN(C1)C(=O)c1cc(COc2cccc3cnccc23)on1

InChI Key: InChIKey=OHPDOBMIRHTURQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 89401   

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
Zinc finger protein GLI1 (Mus musculus)	BDBM89401 (MLS001126732 | SMR000657962 | [3-(3-hydroxypropyl)...) Show SMILES OCCCC1CCCN(C1)C(=O)c1cc(COc2cccc3cnccc23)on1 Show InChI InChI=1S/C22H25N3O4/c26-11-3-5-16-4-2-10-25(14-16)22(27)20-12-18(29-24-20)15-28-21-7-1-6-17-13-23-9-8-19(17)21/h1,6-9,12-13,16,26H,2-5,10-11,14-15H2	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.53E+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 (2012) BindingDB Entry DOI: 10.7270/Q2862F26
					More data for this Ligand-Target Pair
Alpha trans-inducing protein (VP16) (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM89401 (MLS001126732 | SMR000657962 | [3-(3-hydroxypropyl)...) Show SMILES OCCCC1CCCN(C1)C(=O)c1cc(COc2cccc3cnccc23)on1 Show InChI InChI=1S/C22H25N3O4/c26-11-3-5-16-4-2-10-25(14-16)22(27)20-12-18(29-24-20)15-28-21-7-1-6-17-13-23-9-8-19(17)21/h1,6-9,12-13,16,26H,2-5,10-11,14-15H2	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2GM85ZT
					More data for this Ligand-Target Pair
COUP transcription factor 2 isoform a (Homo sapiens (Human))	BDBM89401 (MLS001126732 | SMR000657962 | [3-(3-hydroxypropyl)...) Show SMILES OCCCC1CCCN(C1)C(=O)c1cc(COc2cccc3cnccc23)on1 Show InChI InChI=1S/C22H25N3O4/c26-11-3-5-16-4-2-10-25(14-16)22(27)20-12-18(29-24-20)15-28-21-7-1-6-17-13-23-9-8-19(17)21/h1,6-9,12-13,16,26H,2-5,10-11,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q21Z431S
					More data for this Ligand-Target Pair
Protein Wnt-3a (Mus musculus)	BDBM89401 (MLS001126732 | SMR000657962 | [3-(3-hydroxypropyl)...) Show SMILES OCCCC1CCCN(C1)C(=O)c1cc(COc2cccc3cnccc23)on1 Show InChI InChI=1S/C22H25N3O4/c26-11-3-5-16-4-2-10-25(14-16)22(27)20-12-18(29-24-20)15-28-21-7-1-6-17-13-23-9-8-19(17)21/h1,6-9,12-13,16,26H,2-5,10-11,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	338	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q25B012X
					More data for this Ligand-Target Pair