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BDBM61167 2-(1,3-benzoxazol-2-ylamino)-6-methyl-4-(4-methylphenyl)-N-phenyl-1,4-dihydro-5-pyrimidinecarboxamide::2-(1,3-benzoxazol-2-ylamino)-6-methyl-4-(4-methylphenyl)-N-phenyl-1,4-dihydropyrimidine-5-carboxamide::2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-(p-tolyl)-1,4-dihydropyrimidine-5-carboxamide::MLS000582297::SMR000200836::cid_2967155

SMILES: CC1=NC(Nc2nc3ccccc3o2)=NC(C1C(=O)Nc1ccccc1)c1ccc(C)cc1

InChI Key: InChIKey=HWVOEWVOFJKZGT-UHFFFAOYSA-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 = 61167   
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
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM61167
PNG
(2-(1,3-benzoxazol-2-ylamino)-6-methyl-4-(4-methylp...)
Show SMILES CC1=NC(Nc2nc3ccccc3o2)=NC(C1C(=O)Nc1ccccc1)c1ccc(C)cc1 |c:15,t:1|
Show InChI InChI=1S/C26H23N5O2/c1-16-12-14-18(15-13-16)23-22(24(32)28-19-8-4-3-5-9-19)17(2)27-25(30-23)31-26-29-20-10-6-7-11-21(20)33-26/h3-15,22-23H,1-2H3,(H,28,32)(H,29,30,31)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.07E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2I


(Homo sapiens (Human))
BDBM61167
PNG
(2-(1,3-benzoxazol-2-ylamino)-6-methyl-4-(4-methylp...)
Show SMILES CC1=NC(Nc2nc3ccccc3o2)=NC(C1C(=O)Nc1ccccc1)c1ccc(C)cc1 |c:15,t:1|
Show InChI InChI=1S/C26H23N5O2/c1-16-12-14-18(15-13-16)23-22(24(32)28-19-8-4-3-5-9-19)17(2)27-25(30-23)31-26-29-20-10-6-7-11-21(20)33-26/h3-15,22-23H,1-2H3,(H,28,32)(H,29,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.02E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2V986G8
More data for this
Ligand-Target Pair