BDBM50427552 CHEMBL382602

SMILES: Cn1cc(C(N)=O)c2ccccc12

InChI Key: InChIKey=UHQHFXKJFJHBAE-UHFFFAOYSA-N

Data: 1 Kd

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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 = 50427552   

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
Steroid Delta-isomerase (Pseudomonas putida)	BDBM50427552 (CHEMBL382602) Show SMILES Cn1cc(C(N)=O)c2ccccc12 Show InChI InChI=1S/C10H10N2O/c1-12-6-8(10(11)13)7-4-2-3-5-9(7)12/h2-6H,1H3,(H2,11,13)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas putida KSI by isothermal titration calorimetry				J Med Chem 56: 2155-9 (2013) Article DOI: 10.1021/jm301603n BindingDB Entry DOI: 10.7270/Q2PR7X98
					More data for this Ligand-Target Pair