BDBM50240485 18:0::C18:0::CH3-[CH2]16-COOH::CHEMBL46403::Octadecanoic acid::Octadecansaeure::Oktadekansaeure::Stearinsaeure::acide octadecanoique::acide stearique::n-octadecanoic acid::octadecoic acid::stearic acid

SMILES: CCCCCCCCCCCCCCCCCC(O)=O

InChI Key: InChIKey=QIQXTHQIDYTFRH-UHFFFAOYSA-N

Data: 2 KI  7 IC50  1 Kd

PDB links: 65 PDB IDs match 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 10 hits for monomerid = 50240485   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50240485 (18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Oc...) Show SMILES CCCCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Mixed type inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and me...				Bioorg Med Chem Lett 28: 3315-3319 (2018) Article DOI: 10.1016/j.bmcl.2018.09.013 BindingDB Entry DOI: 10.7270/Q2SQ932J
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50240485 (18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Oc...) Show SMILES CCCCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Mixed type inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and me...				Bioorg Med Chem Lett 28: 3315-3319 (2018) Article DOI: 10.1016/j.bmcl.2018.09.013 BindingDB Entry DOI: 10.7270/Q2SQ932J
					More data for this Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4) (Homo sapiens (Human))	BDBM50240485 (18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Oc...) Show SMILES CCCCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Binding affinity against Adipocyte lipid binding protein				J Med Chem 45: 2469-83 (2002) BindingDB Entry DOI: 10.7270/Q28916J7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50240485 (18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Oc...) Show SMILES CCCCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured at 1...				Bioorg Med Chem Lett 28: 3315-3319 (2018) Article DOI: 10.1016/j.bmcl.2018.09.013 BindingDB Entry DOI: 10.7270/Q2SQ932J
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50240485 (18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Oc...) Show SMILES CCCCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by photometric method				J Nat Prod 83: 1598-1610 (2020)
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2) (Ovis aries (Sheep))	BDBM50240485 (18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Oc...) Show SMILES CCCCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid				J Nat Prod 64: 745-9 (2001) BindingDB Entry DOI: 10.7270/Q24J0DVJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50240485 (18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Oc...) Show SMILES CCCCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay				Citation and Details Article DOI: 10.1007/s00044-012-0285-6 BindingDB Entry DOI: 10.7270/Q2MG7SDK
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50240485 (18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Oc...) Show SMILES CCCCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay				Citation and Details Article DOI: 10.1007/s00044-012-0285-6 BindingDB Entry DOI: 10.7270/Q2MG7SDK
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50240485 (18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Oc...) Show SMILES CCCCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assay				Citation and Details Article DOI: 10.1007/s00044-012-0285-6 BindingDB Entry DOI: 10.7270/Q2MG7SDK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase (Bos taurus)	BDBM50240485 (18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Oc...) Show SMILES CCCCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid				J Nat Prod 64: 745-9 (2001) BindingDB Entry DOI: 10.7270/Q24J0DVJ
					More data for this Ligand-Target Pair