BDBM7882 1H-imidazole::CHEMBL540::Imidazole (Im)::US9138393, Imidazole::US9144538, Imidazole::imidazole

SMILES: c1c[nH]cn1

InChI Key: InChIKey=RAXXELZNTBOGNW-UHFFFAOYSA-N

Data: 6 KI  6 IC50  2 Kd

PDB links: 123 PDB IDs match this monomer. 35 PDB IDs contain this monomer as substructures. 35 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 14 hits for monomerid = 7882   

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
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM7882 (1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...) Show SMILES c1c[nH]cn1 Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									J Neurochem 32: 713-8 (1979) Article DOI: 10.1111/j.1471-4159.1979.tb04553.x BindingDB Entry DOI: 10.7270/Q29W0D0B
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM7882 (1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...) Show SMILES c1c[nH]cn1 Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R.W. Johnson Pharmaceutical Research Institute Curated by PDSP Ki Database									Mol Pharmacol 55: 1101-7 (1999) BindingDB Entry DOI: 10.7270/Q2DR2T2H
					More data for this Ligand-Target Pair
HRH3 (RAT)	BDBM7882 (1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...) Show SMILES c1c[nH]cn1 Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Curated by PDSP Ki Database									J Neurochem 55: 1612-6 (1990) Article DOI: 10.1111/j.1471-4159.1990.tb04946.x BindingDB Entry DOI: 10.7270/Q2X63KF2
					More data for this Ligand-Target Pair
Glutaminyl Cyclase (Homo sapiens (Human))	BDBM7882 (1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...) Show SMILES c1c[nH]cn1 Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.00E+5	-5.54	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 Med Chem 49: 664-77 (2006) Article DOI: 10.1021/jm050756e BindingDB Entry DOI: 10.7270/Q28S4N46
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Glutaminyl Cyclase (Mus musculus (mouse))	BDBM7882 (1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...) Show SMILES c1c[nH]cn1 Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.60E+5	-5.26	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...				Biochemistry 44: 13415-24 (2005) Article DOI: 10.1021/bi051142e BindingDB Entry DOI: 10.7270/Q21834QW
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM7882 (1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...) Show SMILES c1c[nH]cn1 Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.75E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Inhibition of nNOS (unknown origin) assessed as conversion of L-[3H]arginine to L-[3H]citrulline				Bioorg Med Chem 16: 6193-206 (2008) Article DOI: 10.1016/j.bmc.2008.04.036 BindingDB Entry DOI: 10.7270/Q2611040
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Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM7882 (1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...) Show SMILES c1c[nH]cn1 Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ram seminal vesicle Cyclooxygenase				J Med Chem 28: 1427-32 (1985) BindingDB Entry DOI: 10.7270/Q2DJ5DN7
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM7882 (1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...) Show SMILES c1c[nH]cn1 Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Winston-Salem Curated by ChEMBL					Assay Description Inhibition of purified mouse inducible nitric oxide synthase catalyzed [14C]-L-citrulline production at a compound concentration of 1 mM in presence ...				Bioorg Med Chem Lett 9: 2953-8 (1999) BindingDB Entry DOI: 10.7270/Q27943W9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin I2 synthase (Homo sapiens (Human))	BDBM7882 (1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...) Show SMILES c1c[nH]cn1 Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	4.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of porcine aorta prostacyclin PGI-2 synthase				J Med Chem 28: 1427-32 (1985) BindingDB Entry DOI: 10.7270/Q2DJ5DN7
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM7882 (1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...) Show SMILES c1c[nH]cn1 Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	6.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against thromboxane A2 synthetase				J Med Chem 28: 1427-32 (1985) BindingDB Entry DOI: 10.7270/Q2DJ5DN7
					More data for this Ligand-Target Pair
Dehaloperoxidase B (DHP B) (Amphitrite ornata)	BDBM7882 (1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...) Show SMILES c1c[nH]cn1 Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	5.20E+4	n/a	n/a	n/a	7.0	n/a
North Carolina State University					Assay Description Samples for solution resonance Raman spectroscopic studies were prepared withfinal concentrations of 75 μM WT DHP B and 3.75 mM azole in 100 mM ...				Biochemistry 56: 2294-2303 (2017) Article DOI: 10.1021/acs.biochem.7b00041 BindingDB Entry DOI: 10.7270/Q2XS5T7W
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Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM7882 (1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...) Show SMILES c1c[nH]cn1 Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	n/a	4.40E+6	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to 15N-labeled FKBP51 (1 to 140 residues) (unknown origin) expressed in Escherichia coli OD2N by two-dimensional 1H/15N HSQC NMR spe...				J Med Chem 63: 5856-5864 (2020)
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Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM7882 (1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...) Show SMILES c1c[nH]cn1 Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG 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 3A4 (Homo sapiens (Human))	BDBM7882 (1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...) Show SMILES c1c[nH]cn1 Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG 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