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BDBM234691 US9353102, 6.8

SMILES: OC(=O)C1=C(CCC1)C(=O)Nc1scc(C2CC2)c1-c1nc(no1)C1CC1

InChI Key: InChIKey=PKRAOYYTTOXGHM-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 = 234691   
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 4 (FABP4)


(Homo sapiens (Human))
BDBM234691
PNG
(US9353102, 6.8)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1scc(C2CC2)c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C19H19N3O4S/c23-16(11-2-1-3-12(11)19(24)25)21-18-14(13(8-27-18)9-4-5-9)17-20-15(22-26-17)10-6-7-10/h8-10H,1-7H2,(H,21,23)(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 19.2n/an/an/an/a7.5n/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 5 (FABP5)


(Homo sapiens (Human))
BDBM234691
PNG
(US9353102, 6.8)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1scc(C2CC2)c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C19H19N3O4S/c23-16(11-2-1-3-12(11)19(24)25)21-18-14(13(8-27-18)9-4-5-9)17-20-15(22-26-17)10-6-7-10/h8-10H,1-7H2,(H,21,23)(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 38.8n/an/an/an/a7.5n/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