BDBM84684 1-Subsituted 1H-imidazole, 21::CHEMBL543494

SMILES: OC(=O)CCCCn1ccnc1

InChI Key: InChIKey=YTRRZWTXQVETAL-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 84684   

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 2A6 (Homo sapiens (Human))	BDBM84684 (1-Subsituted 1H-imidazole, 21 | CHEMBL543494) Show SMILES OC(=O)CCCCn1ccnc1 Show InChI InChI=1S/C8H12N2O2/c11-8(12)3-1-2-5-10-6-4-9-7-10/h4,6-7H,1-3,5H2,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.78E+5	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (CYP2A13) (Homo sapiens (Human))	BDBM84684 (1-Subsituted 1H-imidazole, 21 | CHEMBL543494) Show SMILES OC(=O)CCCCn1ccnc1 Show InChI InChI=1S/C8H12N2O2/c11-8(12)3-1-2-5-10-6-4-9-7-10/h4,6-7H,1-3,5H2,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM84684 (1-Subsituted 1H-imidazole, 21 | CHEMBL543494) Show SMILES OC(=O)CCCCn1ccnc1 Show InChI InChI=1S/C8H12N2O2/c11-8(12)3-1-2-5-10-6-4-9-7-10/h4,6-7H,1-3,5H2,(H,11,12)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+3	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
GABA transporter (Mus musculus)	BDBM84684 (1-Subsituted 1H-imidazole, 21 | CHEMBL543494) Show SMILES OC(=O)CCCCn1ccnc1 Show InChI InChI=1S/C8H12N2O2/c11-8(12)3-1-2-5-10-6-4-9-7-10/h4,6-7H,1-3,5H2,(H,11,12)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.62E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of mouse GAT3-mediated [3H]GABA uptake expressed in human HEK cells				Eur J Med Chem 46: 1483-98 (2011) Article DOI: 10.1016/j.ejmech.2011.01.042 BindingDB Entry DOI: 10.7270/Q2F76CWJ
					More data for this Ligand-Target Pair
GABA transporter (Mus musculus)	BDBM84684 (1-Subsituted 1H-imidazole, 21 | CHEMBL543494) Show SMILES OC(=O)CCCCn1ccnc1 Show InChI InChI=1S/C8H12N2O2/c11-8(12)3-1-2-5-10-6-4-9-7-10/h4,6-7H,1-3,5H2,(H,11,12)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.24E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of mouse GAT2-mediated [3H]GABA uptake expressed in human HEK cells				Eur J Med Chem 46: 1483-98 (2011) Article DOI: 10.1016/j.ejmech.2011.01.042 BindingDB Entry DOI: 10.7270/Q2F76CWJ
					More data for this Ligand-Target Pair
GABA transporter (Mus musculus)	BDBM84684 (1-Subsituted 1H-imidazole, 21 | CHEMBL543494) Show SMILES OC(=O)CCCCn1ccnc1 Show InChI InChI=1S/C8H12N2O2/c11-8(12)3-1-2-5-10-6-4-9-7-10/h4,6-7H,1-3,5H2,(H,11,12)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in human HEK cells				Eur J Med Chem 46: 1483-98 (2011) Article DOI: 10.1016/j.ejmech.2011.01.042 BindingDB Entry DOI: 10.7270/Q2F76CWJ
					More data for this Ligand-Target Pair