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BDBM234711 US9353102, 4.17

SMILES: Cc1c(sc(NC(=O)C2=C(CCCC2)C(O)=O)c1-c1nc(ns1)C1CC1)C1CC1

InChI Key: InChIKey=WQYOMLQSFKYPOA-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 = 234711   
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))
BDBM234711
PNG
(US9353102, 4.17)
Show SMILES Cc1c(sc(NC(=O)C2=C(CCCC2)C(O)=O)c1-c1nc(ns1)C1CC1)C1CC1
Show InChI InChI=1S/C21H23N3O3S2/c1-10-15(20-22-17(24-29-20)12-8-9-12)19(28-16(10)11-6-7-11)23-18(25)13-4-2-3-5-14(13)21(26)27/h11-12H,2-9H2,1H3,(H,23,25)(H,26,27)
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))
BDBM234711
PNG
(US9353102, 4.17)
Show SMILES Cc1c(sc(NC(=O)C2=C(CCCC2)C(O)=O)c1-c1nc(ns1)C1CC1)C1CC1
Show InChI InChI=1S/C21H23N3O3S2/c1-10-15(20-22-17(24-29-20)12-8-9-12)19(28-16(10)11-6-7-11)23-18(25)13-4-2-3-5-14(13)21(26)27/h11-12H,2-9H2,1H3,(H,23,25)(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 19n/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