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2 similar compounds to monomer 50009844

Compile data set for download or QSAR
Wt: 286.2
BDBM50010283
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Wt: 250.2
BDBM50040780
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50010283,50040780   
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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50040780
PNG
(CHEMBL163958 | cid_234512 | spiro[9H-fluorene-9,4'...)
Show SMILES O=C1NC(=O)C2(N1)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C15H10N2O2/c18-13-15(17-14(19)16-13)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H,(H2,16,17,18,19)
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PubMed
1.25E+5n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity towards cytochrome P450 2C9


J Med Chem 47: 907-14 (2004)


Article DOI: 10.1021/jm030972s
BindingDB Entry DOI: 10.7270/Q2ZK5HF3
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50010283
PNG
(2,7-difluorospiro[9H-fluorene-9,4'-(tetrahydro-1'H...)
Show SMILES Fc1ccc2-c3ccc(F)cc3C3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C15H8F2N2O2/c16-7-1-3-9-10-4-2-8(17)6-12(10)15(11(9)5-7)13(20)18-14(21)19-15/h1-6H,(H2,18,19,20,21)
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n/an/a 5n/an/an/an/an/an/a



Alcon Laboratories, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against L-Hexonate Dehydrogenase (L-HDH) from rat kidney (RK)


J Med Chem 34: 3229-34 (1991)


Article DOI: 10.1021/jm00115a011
BindingDB Entry DOI: 10.7270/Q2QJ7HXM
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50010283
PNG
(2,7-difluorospiro[9H-fluorene-9,4'-(tetrahydro-1'H...)
Show SMILES Fc1ccc2-c3ccc(F)cc3C3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C15H8F2N2O2/c16-7-1-3-9-10-4-2-8(17)6-12(10)15(11(9)5-7)13(20)18-14(21)19-15/h1-6H,(H2,18,19,20,21)
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n/an/a 9n/an/an/an/an/an/a



Alcon Laboratories, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Aldose reductase (AR) from rat lens (RL)


J Med Chem 34: 3229-34 (1991)


Article DOI: 10.1021/jm00115a011
BindingDB Entry DOI: 10.7270/Q2QJ7HXM
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50010283
PNG
(2,7-difluorospiro[9H-fluorene-9,4'-(tetrahydro-1'H...)
Show SMILES Fc1ccc2-c3ccc(F)cc3C3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C15H8F2N2O2/c16-7-1-3-9-10-4-2-8(17)6-12(10)15(11(9)5-7)13(20)18-14(21)19-15/h1-6H,(H2,18,19,20,21)
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n/an/a 54.7n/an/an/an/an/an/a



National Eye Institute

Curated by ChEMBL


Assay Description
Inhibitory Activity against Human recombinant Aldose Reductase (wild type)


J Med Chem 43: 1062-70 (2000)


Article DOI: 10.1021/jm990168z
BindingDB Entry DOI: 10.7270/Q2QZ2BPN
More data for this
Ligand-Target Pair
Integrin alpha-4


(Homo sapiens (Human))
BDBM50040780
PNG
(CHEMBL163958 | cid_234512 | spiro[9H-fluorene-9,4'...)
Show SMILES O=C1NC(=O)C2(N1)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C15H10N2O2/c18-13-15(17-14(19)16-13)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H,(H2,16,17,18,19)
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PCBioAssay
n/an/an/an/a 334n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R01 HL081062-01 Project Title: HTS for Identification of VLA-4 Allosteric Modulators (ML...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24X5684
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50040780
PNG
(CHEMBL163958 | cid_234512 | spiro[9H-fluorene-9,4'...)
Show SMILES O=C1NC(=O)C2(N1)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C15H10N2O2/c18-13-15(17-14(19)16-13)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H,(H2,16,17,18,19)
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n/an/a 3.50E+3n/an/an/an/an/an/a



National Eye Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against purified rat lens aldose reductase (RLAR)


J Med Chem 37: 787-92 (1994)


Article DOI: 10.1021/jm00032a011
BindingDB Entry DOI: 10.7270/Q2G73FCT
More data for this
Ligand-Target Pair