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BDBM234679 US9353102, 4.3

SMILES: Cc1sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c(-c2nc(no2)C2CC2)c1C1CC1

InChI Key: InChIKey=RPHDYZRBTDLXFZ-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 = 234679   
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
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM234679
PNG
(US9353102, 4.3)
Show SMILES Cc1sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c(-c2nc(no2)C2CC2)c1C1CC1
Show InChI InChI=1S/C23H25N3O4S/c1-10-15(11-2-3-11)18(21-24-19(26-30-21)14-8-9-14)22(31-10)25-20(27)16-12-4-6-13(7-5-12)17(16)23(28)29/h11-14H,2-9H2,1H3,(H,25,27)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 μM to 0.003 μM final comp...


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234679
PNG
(US9353102, 4.3)
Show SMILES Cc1sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c(-c2nc(no2)C2CC2)c1C1CC1
Show InChI InChI=1S/C23H25N3O4S/c1-10-15(11-2-3-11)18(21-24-19(26-30-21)14-8-9-14)22(31-10)25-20(27)16-12-4-6-13(7-5-12)17(16)23(28)29/h11-14H,2-9H2,1H3,(H,25,27)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 μM to 0.003 μM final comp...


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair