BDBM92497 CHEMBL542051::Omega-imidazolyl octanoic acid

SMILES: OC(=O)CCCCCCCn1ccnc1

InChI Key: InChIKey=OUQGDTNNZRAKIB-UHFFFAOYSA-N

Data: 2 IC50  1 Kd

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 3 hits for monomerid = 92497   

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
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM92497 (CHEMBL542051 | Omega-imidazolyl octanoic acid) Show SMILES OC(=O)CCCCCCCn1ccnc1 Show InChI InChI=1S/C11H18N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-6,8H2,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a
The University of Kansas					Assay Description Binding assay using CYP2E1.				J Biol Chem 285: 22282-90 (2010) Article DOI: 10.1074/jbc.M110.109017 BindingDB Entry DOI: 10.7270/Q2FF3QZH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM92497 (CHEMBL542051 | Omega-imidazolyl octanoic acid) Show SMILES OC(=O)CCCCCCCn1ccnc1 Show InChI InChI=1S/C11H18N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-6,8H2,(H,14,15)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Thromboxane synthetase				J Med Chem 24: 1149-55 (1982) BindingDB Entry DOI: 10.7270/Q2FT8MMG
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM92497 (CHEMBL542051 | Omega-imidazolyl octanoic acid) Show SMILES OC(=O)CCCCCCCn1ccnc1 Show InChI InChI=1S/C11H18N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-6,8H2,(H,14,15)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human thromboxane synthetase				J Med Chem 24: 1139-48 (1982) BindingDB Entry DOI: 10.7270/Q2KK9CB6
					More data for this Ligand-Target Pair