BDBM24961 Urea

SMILES: NC(N)=O

InChI Key: InChIKey=XSQUKJJJFZCRTK-UHFFFAOYSA-N

Data: 1 KI

PDB links: 79 PDB IDs match this monomer. 431 PDB IDs contain this monomer as substructures. 431 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 24961   

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
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM24961 (Urea) Show SMILES NC(N)=O Show InChI InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	6.47E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Substrate inhibition of Helicobacter pylori urease in presence of >4 mM urea by indophenol method				Bioorg Med Chem 24: 4519-4527 (2016) Article DOI: 10.1016/j.bmc.2016.07.052
					More data for this Ligand-Target Pair