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BDBM95562 MLS000936320::N-cyclopropyl-3-keto-4-(3-methylbenzyl)-1,4-benzothiazine-6-carboxamide::N-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide::N-cyclopropyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide::SMR000621209::cid_4156786

SMILES: Cc1cccc(CN2C(=O)CSc3ccc(cc23)C(=O)NC2CC2)c1

InChI Key: InChIKey=OPBBEFFBPBQJBA-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95562   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95562
PNG
(MLS000936320 | N-cyclopropyl-3-keto-4-(3-methylben...)
Show SMILES Cc1cccc(CN2C(=O)CSc3ccc(cc23)C(=O)NC2CC2)c1
Show InChI InChI=1S/C20H20N2O2S/c1-13-3-2-4-14(9-13)11-22-17-10-15(20(24)21-16-6-7-16)5-8-18(17)25-12-19(22)23/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,21,24)
PDB
MMDB

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PC sid
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Similars

PCBioAssay
n/an/a 1.89E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair