BindingDB logo
myBDB logout

BDBM83152 MLS002473765::N-[(2R,3S)-2-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-methyl-amino]methyl]-3-methyl-6-oxidanylidene-5-[(2R)-1-oxidanylpropan-2-yl]-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide::N-[(2R,3S)-2-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide::N-[(2R,3S)-2-[[(3,5-dimethylisoxazol-4-yl)carbamoyl-methyl-amino]methyl]-5-[(1R)-2-hydroxy-1-methyl-ethyl]-6-keto-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]isonicotinamide::N-[(2R,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide::SMR001397926::cid_44202388

SMILES: C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2c(C)noc2C)Oc2c(NC(=O)c3ccncc3)cccc2C1=O

InChI Key: InChIKey=LZNPRJDEOAAYQM-MFEFFIJZSA-N

Data: 2 IC50

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 2 hits for monomerid = 83152   
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
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM83152
PNG
(MLS002473765 | N-[(2R,3S)-2-[[(3,5-dimethyl-1,2-ox...)
Show SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2c(C)noc2C)Oc2c(NC(=O)c3ccncc3)cccc2C1=O
Show InChI InChI=1S/C28H34N6O6/c1-16-13-34(17(2)15-35)27(37)21-7-6-8-22(30-26(36)20-9-11-29-12-10-20)25(21)39-23(16)14-33(5)28(38)31-24-18(3)32-40-19(24)4/h6-12,16-17,23,35H,13-15H2,1-5H3,(H,30,36)(H,31,38)/t16-,17+,23-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.87E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BV7F7H
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM83152
PNG
(MLS002473765 | N-[(2R,3S)-2-[[(3,5-dimethyl-1,2-ox...)
Show SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2c(C)noc2C)Oc2c(NC(=O)c3ccncc3)cccc2C1=O
Show InChI InChI=1S/C28H34N6O6/c1-16-13-34(17(2)15-35)27(37)21-7-6-8-22(30-26(36)20-9-11-29-12-10-20)25(21)39-23(16)14-33(5)28(38)31-24-18(3)32-40-19(24)4/h6-12,16-17,23,35H,13-15H2,1-5H3,(H,30,36)(H,31,38)/t16-,17+,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 7.66E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1016/j.bioorg.2015.08.001
BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair