Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 277.7 BDBM68118Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Toll-like receptor 9 (Homo sapiens (Human))	BDBM68118 (4-chloranyl-3-(piperidin-1-ylmethyl)chromen-2-one ...) Show SMILES Clc1c(CN2CCCCC2)c(=O)oc2ccccc12 Show InChI InChI=1S/C15H16ClNO2/c16-14-11-6-2-3-7-13(11)19-15(18)12(14)10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.37E+3	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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2KS6Q2P
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM68118 (4-chloranyl-3-(piperidin-1-ylmethyl)chromen-2-one ...) Show SMILES Clc1c(CN2CCCCC2)c(=O)oc2ccccc12 Show InChI InChI=1S/C15H16ClNO2/c16-14-11-6-2-3-7-13(11)19-15(18)12(14)10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.02E+3	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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2G15ZB8
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68118 (4-chloranyl-3-(piperidin-1-ylmethyl)chromen-2-one ...) Show SMILES Clc1c(CN2CCCCC2)c(=O)oc2ccccc12 Show InChI InChI=1S/C15H16ClNO2/c16-14-11-6-2-3-7-13(11)19-15(18)12(14)10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68118 (4-chloranyl-3-(piperidin-1-ylmethyl)chromen-2-one ...) Show SMILES Clc1c(CN2CCCCC2)c(=O)oc2ccccc12 Show InChI InChI=1S/C15H16ClNO2/c16-14-11-6-2-3-7-13(11)19-15(18)12(14)10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM68118 (4-chloranyl-3-(piperidin-1-ylmethyl)chromen-2-one ...) Show SMILES Clc1c(CN2CCCCC2)c(=O)oc2ccccc12 Show InChI InChI=1S/C15H16ClNO2/c16-14-11-6-2-3-7-13(11)19-15(18)12(14)10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair