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BDBM70432 4-morpholinecarboxylic acid [3-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester::MLS000111544::SMR000107466::[3-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] morpholine-4-carboxylate::[3-(6-azanyl-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] morpholine-4-carboxylate::cid_2908562::morpholine-4-carboxylic acid [3-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester

SMILES: N=C1Oc2[nH]nc(c2C(C1C#N)c1cccc(OC(=O)N2CCOCC2)c1)-c1ccccc1

InChI Key: InChIKey=DMUNPOBEOADLPO-UHFFFAOYSA-N

Data: 2 EC50

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 = 70432   
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
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70432
PNG
(4-morpholinecarboxylic acid [3-(6-amino-5-cyano-3-...)
Show SMILES N=C1Oc2[nH]nc(c2C(C1C#N)c1cccc(OC(=O)N2CCOCC2)c1)-c1ccccc1
Show InChI InChI=1S/C24H21N5O4/c25-14-18-19(16-7-4-8-17(13-16)32-24(30)29-9-11-31-12-10-29)20-21(15-5-2-1-3-6-15)27-28-23(20)33-22(18)26/h1-8,13,18-19,26H,9-12H2,(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.19E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70432
PNG
(4-morpholinecarboxylic acid [3-(6-amino-5-cyano-3-...)
Show SMILES N=C1Oc2[nH]nc(c2C(C1C#N)c1cccc(OC(=O)N2CCOCC2)c1)-c1ccccc1
Show InChI InChI=1S/C24H21N5O4/c25-14-18-19(16-7-4-8-17(13-16)32-24(30)29-9-11-31-12-10-29)20-21(15-5-2-1-3-6-15)27-28-23(20)33-22(18)26/h1-8,13,18-19,26H,9-12H2,(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.01E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair