BDBM7942 1-Subsituted 1H-imidazole, 8::1-Vinylimidazole::1-ethenyl-1H-imidazole::Imidazole N-1 deriv. 3::US9138393, 1-Vinylimidazole::US9144538, 1-Vinylimidazole

SMILES: C=Cn1ccnc1

InChI Key: InChIKey=OSSNTDFYBPYIEC-UHFFFAOYSA-N

Data: 1 KI  4 IC50

PDB links: 2 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 5 hits for monomerid = 7942   

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
Glutaminyl Cyclase (Homo sapiens (Human))	BDBM7942 (1-Subsituted 1H-imidazole, 8 | 1-Vinylimidazole | ...) Show SMILES C=Cn1ccnc1 Show InChI InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	4.90E+4	-5.97	n/a	n/a	n/a	n/a	n/a	8.0	30
Probiodrug AG					Assay Description QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...				J Biol Chem 278: 49773-9 (2003) Article DOI: 10.1074/jbc.M309077200 BindingDB Entry DOI: 10.7270/Q2513WDS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM7942 (1-Subsituted 1H-imidazole, 8 | 1-Vinylimidazole | ...) Show SMILES C=Cn1ccnc1 Show InChI InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Procter & Gamble Company US Patent					Assay Description Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...				US Patent US9144538 (2015) BindingDB Entry DOI: 10.7270/Q22806DV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM7942 (1-Subsituted 1H-imidazole, 8 | 1-Vinylimidazole | ...) Show SMILES C=Cn1ccnc1 Show InChI InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Procter & Gamble Company US Patent					Assay Description A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...				US Patent US9138393 (2015) BindingDB Entry DOI: 10.7270/Q2GF0S8J
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM7942 (1-Subsituted 1H-imidazole, 8 | 1-Vinylimidazole | ...) Show SMILES C=Cn1ccnc1 Show InChI InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>3.00E+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))	BDBM7942 (1-Subsituted 1H-imidazole, 8 | 1-Vinylimidazole | ...) Show SMILES C=Cn1ccnc1 Show InChI InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>3.00E+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