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SMILES: Cc1cc(=O)[nH]c2ccccc12

InChI Key: InChIKey=APLVPBUBDFWWAD-UHFFFAOYSA-N

PDB links: 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 = 29214   

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
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM29214 (casimiroin analogue, 1c | cid_69088) Show SMILES Cc1cc(=O)[nH]c2ccccc12 Show InChI InChI=1S/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
					More data for this Ligand-Target Pair
Diphosphomevalonate decarboxylase (Streptococcus pneumoniae D39)	BDBM29214 (casimiroin analogue, 1c | cid_69088) Show SMILES Cc1cc(=O)[nH]c2ccccc12 Show InChI InChI=1S/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2N014XN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM29214 (casimiroin analogue, 1c | cid_69088) Show SMILES Cc1cc(=O)[nH]c2ccccc12 Show InChI InChI=1S/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description Aromatase inhibition was quantified by measuring the fluorescent intensity of fluorescein, the hydrolysis product of dibenzylfluorescein (DBF), by ar...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
					More data for this Ligand-Target Pair