BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 190 hits of ic50 data for polymerid = 50006046,8873   
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))
BDBM234682
PNG
(US9353102, 5)
Show SMILES Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(-c2nc(no2)C(F)(F)F)c1C1CC1
Show InChI InChI=1S/C18H16F3N3O4S/c1-7-11(8-5-6-8)12(14-23-17(24-28-14)18(19,20)21)15(29-7)22-13(25)9-3-2-4-10(9)16(26)27/h8H,2-6H2,1H3,(H,22,25)(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234684
PNG
(US9353102, 6.1)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sccc1-c1nc(no1)C1CC1
Show InChI InChI=1S/C16H15N3O4S/c20-13(9-2-1-3-10(9)16(21)22)18-15-11(6-7-24-15)14-17-12(19-23-14)8-4-5-8/h6-8H,1-5H2,(H,18,20)(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234681
PNG
(US9353102, 4.5)
Show SMILES Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(c1C)-c1nc(no1)C1CC1
Show InChI InChI=1S/C18H19N3O4S/c1-8-9(2)26-17(13(8)16-19-14(21-25-16)10-6-7-10)20-15(22)11-4-3-5-12(11)18(23)24/h10H,3-7H2,1-2H3,(H,20,22)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234674
PNG
(US9353102, 3.3)
Show SMILES Cc1c(sc(NC(=O)C2=C(CCC2)C(O)=O)c1-c1nc(no1)C1CC1)C1CC1
Show InChI InChI=1S/C20H21N3O4S/c1-9-14(18-21-16(23-27-18)11-7-8-11)19(28-15(9)10-5-6-10)22-17(24)12-3-2-4-13(12)20(25)26/h10-11H,2-8H2,1H3,(H,22,24)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234701
PNG
(US9353102, 4.7)
Show SMILES Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(c1C)-c1nc(ns1)C1CC1
Show InChI InChI=1S/C18H19N3O3S2/c1-8-9(2)25-16(13(8)17-19-14(21-26-17)10-6-7-10)20-15(22)11-4-3-5-12(11)18(23)24/h10H,3-7H2,1-2H3,(H,20,22)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234709
PNG
(US9353102, 4.15)
Show SMILES Cc1c(sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c1-c1nc(ns1)C1CC1)C1CC1
Show InChI InChI=1S/C23H25N3O3S2/c1-10-15(22-24-19(26-31-22)14-8-9-14)21(30-18(10)13-6-7-13)25-20(27)16-11-2-4-12(5-3-11)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
US Patent
n/an/a 13n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234707
PNG
(US9353102, 4.13)
Show SMILES Cc1c(sc(NC(=O)C2=C(CCC2)C(O)=O)c1-c1nc(ns1)C1CC1)C1CC1
Show InChI InChI=1S/C20H21N3O3S2/c1-9-14(19-21-16(23-28-19)11-7-8-11)18(27-15(9)10-5-6-10)22-17(24)12-3-2-4-13(12)20(25)26/h10-11H,2-8H2,1H3,(H,22,24)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234692
PNG
(US9353102, 6.9)
Show SMILES Cc1csc(NC(=O)C2=C(CCC2)C(O)=O)c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C17H17N3O4S/c1-8-7-25-16(12(8)15-18-13(20-24-15)9-5-6-9)19-14(21)10-3-2-4-11(10)17(22)23/h7,9H,2-6H2,1H3,(H,19,21)(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/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...


Citation and Details
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
US Patent
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...


Citation and Details
More data for this
Ligand-Target Pair
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
US Patent
n/an/a 19.2n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234673
PNG
(US9353102, 3.2)
Show SMILES Cc1sc(NC(=O)C2=C(CCCC2)C(O)=O)c(c1C)-c1nc(no1)C1CC1
Show InChI InChI=1S/C19H21N3O4S/c1-9-10(2)27-18(14(9)17-20-15(22-26-17)11-7-8-11)21-16(23)12-5-3-4-6-13(12)19(24)25/h11H,3-8H2,1-2H3,(H,21,23)(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...


Citation and Details
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
US Patent
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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234687
PNG
(US9353102, 6.4)
Show SMILES Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(-c2nc(no2)C2CC2)c1C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O4S/c1-7-12(18(19,20)21)11(15-22-13(24-28-15)8-5-6-8)16(29-7)23-14(25)9-3-2-4-10(9)17(26)27/h8H,2-6H2,1H3,(H,23,25)(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234678
PNG
(US9353102, 4.2)
Show SMILES Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(-c2nc(no2)C2CC2)c1C1CC1
Show InChI InChI=1S/C20H21N3O4S/c1-9-14(10-5-6-10)15(18-21-16(23-27-18)11-7-8-11)19(28-9)22-17(24)12-3-2-4-13(12)20(25)26/h10-11H,2-8H2,1H3,(H,22,24)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234683
PNG
(US9353102, 6)
Show SMILES Cc1cc(c(NC(=O)C2=C(CCC2)C(O)=O)s1)-c1nc(no1)C1CC1
Show InChI InChI=1S/C17H17N3O4S/c1-8-7-12(15-18-13(20-24-15)9-5-6-9)16(25-8)19-14(21)10-3-2-4-11(10)17(22)23/h7,9H,2-6H2,1H3,(H,19,21)(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234694
PNG
(US9353102, 6.11)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1scc(c1-c1nc(no1)C1CC1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O4S/c18-17(19,20)10-6-28-15(11(10)14-21-12(23-27-14)7-4-5-7)22-13(24)8-2-1-3-9(8)16(25)26/h6-7H,1-5H2,(H,22,24)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20.5n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234698
PNG
(US9353102, 8 | US9353102, 9)
Show SMILES Cc1sc(NC(=O)C2=C(COCC2)C(O)=O)c(c1C)-c1nc(no1)C1CC1
Show InChI InChI=1S/C18H19N3O5S/c1-8-9(2)27-17(13(8)16-19-14(21-26-16)10-3-4-10)20-15(22)11-5-6-25-7-12(11)18(23)24/h10H,3-7H2,1-2H3,(H,20,22)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234704
PNG
(US9353102, 4.10)
Show SMILES Cc1nsc(n1)-c1c(C)c(sc1NC(=O)C1=C(CCC1)C(O)=O)C1CC1
Show InChI InChI=1S/C18H19N3O3S2/c1-8-13(17-19-9(2)21-26-17)16(25-14(8)10-6-7-10)20-15(22)11-4-3-5-12(11)18(23)24/h10H,3-7H2,1-2H3,(H,20,22)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234710
PNG
(US9353102, 4.16)
Show SMILES Cc1nsc(n1)-c1c(C)c(C)sc1NC(=O)C1=C(CCCC1)C(O)=O
Show InChI InChI=1S/C17H19N3O3S2/c1-8-9(2)24-15(13(8)16-18-10(3)20-25-16)19-14(21)11-6-4-5-7-12(11)17(22)23/h4-7H2,1-3H3,(H,19,21)(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234708
PNG
(US9353102, 4.14)
Show SMILES Cc1nsc(n1)-c1c(C)c(C)sc1NC(=O)C1=C(CCC1)C(O)=O
Show InChI InChI=1S/C16H17N3O3S2/c1-7-8(2)23-14(12(7)15-17-9(3)19-24-15)18-13(20)10-5-4-6-11(10)16(21)22/h4-6H2,1-3H3,(H,18,20)(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 25n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234703
PNG
(US9353102, 4.9)
Show SMILES Cc1sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c(c1C)-c1nc(ns1)C1CC1
Show InChI InChI=1S/C21H23N3O3S2/c1-9-10(2)28-19(14(9)20-22-17(24-29-20)13-7-8-13)23-18(25)15-11-3-5-12(6-4-11)16(15)21(26)27/h11-13H,3-8H2,1-2H3,(H,23,25)(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 27n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234706
PNG
(US9353102, 4.12)
Show SMILES Cc1nsc(n1)-c1c(C)c(sc1NC(=O)C1=C(C2CCC1CC2)C(O)=O)C1CC1
Show InChI InChI=1S/C21H23N3O3S2/c1-9-14(20-22-10(2)24-29-20)19(28-17(9)13-7-8-13)23-18(25)15-11-3-5-12(6-4-11)16(15)21(26)27/h11-13H,3-8H2,1-2H3,(H,23,25)(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234672
PNG
(US9353102, 3.1)
Show SMILES Cc1sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c(-c2nc(no2)C(F)(F)F)c1C1CC1
Show InChI InChI=1S/C21H20F3N3O4S/c1-8-12(9-2-3-9)15(17-26-20(27-31-17)21(22,23)24)18(32-8)25-16(28)13-10-4-6-11(7-5-10)14(13)19(29)30/h9-11H,2-7H2,1H3,(H,25,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234705
PNG
(US9353102, 4.11)
Show SMILES Cc1nsc(n1)-c1c(C)c(sc1NC(=O)C1=C(CCCC1)C(O)=O)C1CC1
Show InChI InChI=1S/C19H21N3O3S2/c1-9-14(18-20-10(2)22-27-18)17(26-15(9)11-7-8-11)21-16(23)12-5-3-4-6-13(12)19(24)25/h11H,3-8H2,1-2H3,(H,21,23)(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 31n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234680
PNG
(US9353102, 4.4)
Show SMILES Cc1sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c(c1C)-c1nc(no1)C1CC1
Show InChI InChI=1S/C21H23N3O4S/c1-9-10(2)29-20(14(9)19-22-17(24-28-19)13-7-8-13)23-18(25)15-11-3-5-12(6-4-11)16(15)21(26)27/h11-13H,3-8H2,1-2H3,(H,23,25)(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234690
PNG
(US9353102, 6.7)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc(cc1-c1nc(no1)C1CC1)C1CC1
Show InChI InChI=1S/C19H19N3O4S/c23-16(11-2-1-3-12(11)19(24)25)21-18-13(8-14(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
US Patent
n/an/a 40.8n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234700
PNG
(US9353102, 4.6)
Show SMILES Cc1nsc(n1)-c1c(C)c(C)sc1NC(=O)C1=C(C2CCC1CC2)C(O)=O
Show InChI InChI=1S/C19H21N3O3S2/c1-8-9(2)26-17(13(8)18-20-10(3)22-27-18)21-16(23)14-11-4-6-12(7-5-11)15(14)19(24)25/h11-12H,4-7H2,1-3H3,(H,21,23)(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 44n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50247996
PNG
(5-(2-(trifluoromethyl)benzyl)-5,6,7,8,9,10-hexahyd...)
Show SMILES OC(=O)c1cccc2c3CCCCCc3n(Cc3ccccc3C(F)(F)F)c12
Show InChI InChI=1S/C22H20F3NO2/c23-22(24,25)18-11-5-4-7-14(18)13-26-19-12-3-1-2-8-15(19)16-9-6-10-17(20(16)26)21(27)28/h4-7,9-11H,1-3,8,12-13H2,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by scintillation proximity assay


Bioorg Med Chem Lett 19: 1745-8 (2009)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM212456
PNG
(US9278918, 46)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)cc(Cl)c1-c1ccccc1
Show InChI InChI=1S/C19H18Cl2N2O3/c20-13-10-14(21)16(12-6-2-1-3-7-12)15(11-13)22-18(26)23-19(17(24)25)8-4-5-9-19/h1-3,6-7,10-11H,4-5,8-9H2,(H,24,25)(H2,22,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/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 uM to 0.003 uM final compound conce...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234695
PNG
(US9353102, 6.12)
Show SMILES CN(C)c1nc(ns1)-c1sc(NC(=O)C2=C(CCC2)C(O)=O)c(c1C)-c1nc(no1)C1CC1
Show InChI InChI=1S/C21H22N6O4S2/c1-9-13(18-22-15(25-31-18)10-7-8-10)19(24-17(28)11-5-4-6-12(11)20(29)30)32-14(9)16-23-21(27(2)3)33-26-16/h10H,4-8H2,1-3H3,(H,24,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 58.1n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM212452
PNG
(US9278918, 42)
Show SMILES OC(=O)C1(CC1)NC(=O)Nc1cc(Cl)c(F)cc1-c1ccccc1
Show InChI InChI=1S/C17H14ClFN2O3/c18-12-9-14(20-16(24)21-17(6-7-17)15(22)23)11(8-13(12)19)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,22,23)(H2,20,21,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 60n/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 uM to 0.003 uM final compound conce...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50248245
PNG
(5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocycloh...)
Show SMILES NC(=O)c1cccc(Cn2c3CCCCCc3c3cccc(C(O)=O)c23)c1
Show InChI InChI=1S/C22H22N2O3/c23-21(25)15-7-4-6-14(12-15)13-24-19-11-3-1-2-8-16(19)17-9-5-10-18(20(17)24)22(26)27/h4-7,9-10,12H,1-3,8,11,13H2,(H2,23,25)(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 69n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by scintillation proximity assay


Bioorg Med Chem Lett 19: 1745-8 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234671
PNG
(US9353102, 3)
Show SMILES Cc1noc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc(C)c1C1CC1
Show InChI InChI=1S/C18H19N3O4S/c1-8-13(10-6-7-10)14(16-19-9(2)21-25-16)17(26-8)20-15(22)11-4-3-5-12(11)18(23)24/h10H,3-7H2,1-2H3,(H,20,22)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM212455
PNG
(US9278918, 45)
Show SMILES OC(=O)C1(CC1)NC(=O)Nc1cc(Cl)cc(Cl)c1-c1ccccc1
Show InChI InChI=1S/C17H14Cl2N2O3/c18-11-8-12(19)14(10-4-2-1-3-5-10)13(9-11)20-16(24)21-17(6-7-17)15(22)23/h1-5,8-9H,6-7H2,(H,22,23)(H2,20,21,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/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 uM to 0.003 uM final compound conce...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234702
PNG
(US9353102, 4.8)
Show SMILES Cc1sc(NC(=O)C2=C(CCCC2)C(O)=O)c(c1C)-c1nc(ns1)C1CC1
Show InChI InChI=1S/C19H21N3O3S2/c1-9-10(2)26-17(14(9)18-20-15(22-27-18)11-7-8-11)21-16(23)12-5-3-4-6-13(12)19(24)25/h11H,3-8H2,1-2H3,(H,21,23)(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 85n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234685
PNG
(US9353102, 6.2)
Show SMILES Cc1c(sc(NC(=O)C2=C(CCC2)C(O)=O)c1-c1nc(no1)C1CC1)C1COC1
Show InChI InChI=1S/C20H21N3O5S/c1-9-14(18-21-16(23-28-18)10-5-6-10)19(29-15(9)11-7-27-8-11)22-17(24)12-3-2-4-13(12)20(25)26/h10-11H,2-8H2,1H3,(H,22,24)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50248191
PNG
(5-benzyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...)
Show SMILES OC(=O)c1cccc2c3CCCCCc3n(Cc3ccccc3)c12
Show InChI InChI=1S/C21H21NO2/c23-21(24)18-12-7-11-17-16-10-5-2-6-13-19(16)22(20(17)18)14-15-8-3-1-4-9-15/h1,3-4,7-9,11-12H,2,5-6,10,13-14H2,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 96n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by scintillation proximity assay


Bioorg Med Chem Lett 19: 1745-8 (2009)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50248244
PNG
(5-(2-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocycloh...)
Show SMILES NC(=O)c1ccccc1Cn1c2CCCCCc2c2cccc(C(O)=O)c12
Show InChI InChI=1S/C22H22N2O3/c23-21(25)15-8-5-4-7-14(15)13-24-19-12-3-1-2-9-16(19)17-10-6-11-18(20(17)24)22(26)27/h4-8,10-11H,1-3,9,12-13H2,(H2,23,25)(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by scintillation proximity assay


Bioorg Med Chem Lett 19: 1745-8 (2009)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM212454
PNG
(US9278918, 44)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)c(F)cc1-c1ccccc1
Show InChI InChI=1S/C19H18ClFN2O3/c20-14-11-16(13(10-15(14)21)12-6-2-1-3-7-12)22-18(26)23-19(17(24)25)8-4-5-9-19/h1-3,6-7,10-11H,4-5,8-9H2,(H,24,25)(H2,22,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/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 uM to 0.003 uM final compound conce...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234686
PNG
(US9353102, 6.3)
Show SMILES Cc1c(sc(NC(=O)C2=C(CCCC2)C(O)=O)c1-c1nc(no1)C1CC1)C1COC1
Show InChI InChI=1S/C21H23N3O5S/c1-10-15(19-22-17(24-29-19)11-6-7-11)20(30-16(10)12-8-28-9-12)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
US Patent
n/an/a 105n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234698
PNG
(US9353102, 8 | US9353102, 9)
Show SMILES Cc1sc(NC(=O)C2=C(COCC2)C(O)=O)c(c1C)-c1nc(no1)C1CC1
Show InChI InChI=1S/C18H19N3O5S/c1-8-9(2)27-17(13(8)16-19-14(21-26-16)10-3-4-10)20-15(22)11-5-6-25-7-12(11)18(23)24/h10H,3-7H2,1-2H3,(H,20,22)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 107n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM212448
PNG
(US9278918, 34)
Show SMILES OC(=O)C1(CC1)NC(=O)Nc1cc(Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C17H15ClN2O3/c18-12-6-7-13(11-4-2-1-3-5-11)14(10-12)19-16(23)20-17(8-9-17)15(21)22/h1-7,10H,8-9H2,(H,21,22)(H2,19,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/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 uM to 0.003 uM final compound conce...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234677
PNG
(US9353102, 4.1)
Show SMILES Cc1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc(C)c1C1CC1
Show InChI InChI=1S/C21H23N3O4S/c1-9-14(11-3-4-11)17(19-22-10(2)24-28-19)20(29-9)23-18(25)15-12-5-7-13(8-6-12)16(15)21(26)27/h11-13H,3-8H2,1-2H3,(H,23,25)(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM212451
PNG
(US9278918, 41)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)ccc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H18ClFN2O3/c20-13-5-8-15(12-3-6-14(21)7-4-12)16(11-13)22-18(26)23-19(17(24)25)9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,24,25)(H2,22,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/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 uM to 0.003 uM final compound conce...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM212447
PNG
(US9278918, 33)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C19H19ClN2O3/c20-14-8-9-15(13-6-2-1-3-7-13)16(12-14)21-18(25)22-19(17(23)24)10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2,(H,23,24)(H2,21,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/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 uM to 0.003 uM final compound conce...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234669
PNG
(US9353102, 1)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sccc1-c1ccccc1
Show InChI InChI=1S/C17H15NO3S/c19-15(13-7-4-8-14(13)17(20)21)18-16-12(9-10-22-16)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,18,19)(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234675
PNG
(US9353102, 3.4)
Show SMILES Cc1c(sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c1-c1nc(no1)C1CC1)C1CC1
Show InChI InChI=1S/C23H25N3O4S/c1-10-15(21-24-19(26-30-21)14-8-9-14)22(31-18(10)13-6-7-13)25-20(27)16-11-2-4-12(5-3-11)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
US Patent
n/an/a 210n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234699
PNG
(US9353102, 10)
Show SMILES Cc1sc(NC(=O)N2CCC[C@@H]2C(O)=O)c(c1C)-c1nc(no1)C(F)(F)F
Show InChI InChI=1/C15H15F3N4O4S/c1-6-7(2)27-11(9(6)10-19-13(21-26-10)15(16,17)18)20-14(25)22-5-3-4-8(22)12(23)24/h8H,3-5H2,1-2H3,(H,20,25)(H,23,24)/t8-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 217n/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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50212873
PNG
(((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 221n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP4 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234696
PNG
(US9353102, 7 | US9353102, 7.1)
Show SMILES Cc1sc(NC(=O)C2CCCCC2C(O)=O)c(c1C)-c1nc(no1)C1CC1
Show InChI InChI=1/C19H23N3O4S/c1-9-10(2)27-18(14(9)17-20-15(22-26-17)11-7-8-11)21-16(23)12-5-3-4-6-13(12)19(24)25/h11-13H,3-8H2,1-2H3,(H,21,23)(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 244n/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...


Citation and Details
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 190 total )  |  Next  |  Last  >>
Jump to: