BDBM24564 2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanyl}octanoic acid::CHEMBL459721::Pirinixic acid-based compound, 6c

SMILES: CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(O)=O

InChI Key: InChIKey=DLURBYNSENSGOL-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 24564   

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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM24564 (2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(O)=O Show InChI InChI=1S/C21H23ClN4O2S/c1-2-3-4-5-8-17(20(27)28)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	7.4	37
Eberhard-Karls-University Tuebingen					Assay Description For determination of the activity of 5-LO in 100000g supernatants, aliquots of the supernatants were added to reaction mix, and were preincubated wit...				J Med Chem 51: 5449-53 (2008) Article DOI: 10.1021/jm800588x BindingDB Entry DOI: 10.7270/Q2SN077B
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM24564 (2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(O)=O Show InChI InChI=1S/C21H23ClN4O2S/c1-2-3-4-5-8-17(20(27)28)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Activation of human PPARalpha ligand binding domain expressed in COS7 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM24564 (2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(O)=O Show InChI InChI=1S/C21H23ClN4O2S/c1-2-3-4-5-8-17(20(27)28)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM24564 (2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(O)=O Show InChI InChI=1S/C21H23ClN4O2S/c1-2-3-4-5-8-17(20(27)28)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of ovine COX1				J Med Chem 51: 8068-76 (2008) Article DOI: 10.1021/jm801085s BindingDB Entry DOI: 10.7270/Q2639QN4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM24564 (2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(O)=O Show InChI InChI=1S/C21H23ClN4O2S/c1-2-3-4-5-8-17(20(27)28)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Activation of human PPARgamma ligand binding domain expressed in COS7 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair