BDBM7949 Imidazole C-4(5) deriv. 1::N-[2-(1H-Imidazol-4-yl)ethyl]acetamide::N-omega-Acetylhistamine::N-w-acetylhistamine (AH)

SMILES: CC(=O)NCCc1cnc[nH]1

InChI Key: InChIKey=XJWPISBUKWZALE-UHFFFAOYSA-N

Data: 3 KI

PDB links: 1 PDB ID matches this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to 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 = 7949   

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))	BDBM7949 (Imidazole C-4(5) deriv. 1 | N-[2-(1H-Imidazol-4-yl...) Show SMILES CC(=O)NCCc1cnc[nH]1 Show InChI InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	1.70E+3	-7.87	n/a	n/a	n/a	n/a	n/a	8.0	25
Academia Sinica					Assay Description The testing for the inhibition activities of imidazole derivatives and cacodylate on gQC and sQC was evaluated at 25 C using the fluorescent substrat...				J Biol Chem 286: 12439-49 (2011) Article DOI: 10.1074/jbc.M110.208595 BindingDB Entry DOI: 10.7270/Q2CN72HS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutaminyl Cyclase (Homo sapiens (Human))	BDBM7949 (Imidazole C-4(5) deriv. 1 | N-[2-(1H-Imidazol-4-yl...) Show SMILES CC(=O)NCCc1cnc[nH]1 Show InChI InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	5.75E+3	-7.14	n/a	n/a	n/a	n/a	n/a	8.0	25
Academia Sinica					Assay Description The testing for the inhibition activities of imidazole derivatives and cacodylate on gQC and sQC was evaluated at 25 C using the fluorescent substrat...				J Biol Chem 286: 12439-49 (2011) Article DOI: 10.1074/jbc.M110.208595 BindingDB Entry DOI: 10.7270/Q2CN72HS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutaminyl Cyclase (Homo sapiens (Human))	BDBM7949 (Imidazole C-4(5) deriv. 1 | N-[2-(1H-Imidazol-4-yl...) Show SMILES CC(=O)NCCc1cnc[nH]1 Show InChI InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	1.70E+4	-6.61	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)