BindingDB logo
myBDB logout

13 molecules are shown

Compile data set for download or QSAR
Wt: 335.3
BDBM50248237
Wt: 323.3
BDBM50248240
Wt: 362.4
BDBM50248245
Wt: 373.3
BDBM50247968
Wt: 373.3
BDBM50247969
Wt: 319.3
BDBM50247970
Wt: 319.3
BDBM50248191
Wt: 319.3
BDBM50248193
Wt: 335.3
BDBM50248195
Wt: 335.3
BDBM50248196
Wt: 305.3
BDBM50247987
Wt: 291.3
BDBM50247990
Wt: 337.3
BDBM50247995

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50248237,50248240,50248245,50247968,50247969,50247970,50248191,50248193,50248195,50248196,50247987,50247990,50247995   
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))
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 450n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein muscle


(Homo sapiens)
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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50247987
PNG
(9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxy...)
Show SMILES OC(=O)c1cccc2c3CCCCc3n(Cc3ccccc3)c12
Show InChI InChI=1S/C20H19NO2/c22-20(23)17-11-6-10-16-15-9-4-5-12-18(15)21(19(16)17)13-14-7-2-1-3-8-14/h1-3,6-8,10-11H,4-5,9,12-13H2,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 590n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50248195
PNG
(9-(2-methoxybenzyl)-2,3,4,9-tetrahydro-1H-carbazol...)
Show SMILES COc1ccccc1Cn1c2CCCCc2c2cccc(C(O)=O)c12
Show InChI InChI=1S/C21H21NO3/c1-25-19-12-5-2-7-14(19)13-22-18-11-4-3-8-15(18)16-9-6-10-17(20(16)22)21(23)24/h2,5-7,9-10,12H,3-4,8,11,13H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50247995
PNG
(5-(4-fluorobenzyl)-5,6,7,8,9,10-hexahydrocyclohept...)
Show SMILES OC(=O)c1cccc2c3CCCCCc3n(Cc3ccc(F)cc3)c12
Show InChI InChI=1S/C21H20FNO2/c22-15-11-9-14(10-12-15)13-23-19-8-3-1-2-5-16(19)17-6-4-7-18(20(17)23)21(24)25/h4,6-7,9-12H,1-3,5,8,13H2,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 780n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50248240
PNG
(9-(4-fluorobenzyl)-2,3,4,9-tetrahydro-1H-carbazole...)
Show SMILES OC(=O)c1cccc2c3CCCCc3n(Cc3ccc(F)cc3)c12
Show InChI InChI=1S/C20H18FNO2/c21-14-10-8-13(9-11-14)12-22-18-7-2-1-4-15(18)16-5-3-6-17(19(16)22)20(23)24/h3,5-6,8-11H,1-2,4,7,12H2,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 830n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50247990
PNG
(4-benzyl-1,2,3,4-tetrahydrocyclopenta[b]indole-5-c...)
Show SMILES OC(=O)c1cccc2c3CCCc3n(Cc3ccccc3)c12
Show InChI InChI=1S/C19H17NO2/c21-19(22)16-10-4-9-15-14-8-5-11-17(14)20(18(15)16)12-13-6-2-1-3-7-13/h1-4,6-7,9-10H,5,8,11-12H2,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 970n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50247970
PNG
(9-(4-methylbenzyl)-2,3,4,9-tetrahydro-1H-carbazole...)
Show SMILES Cc1ccc(Cn2c3CCCCc3c3cccc(C(O)=O)c23)cc1
Show InChI InChI=1S/C21H21NO2/c1-14-9-11-15(12-10-14)13-22-19-8-3-2-5-16(19)17-6-4-7-18(20(17)22)21(23)24/h4,6-7,9-12H,2-3,5,8,13H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.09E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50247968
PNG
(9-(3-(trifluoromethyl)benzyl)-2,3,4,9-tetrahydro-1...)
Show SMILES OC(=O)c1cccc2c3CCCCc3n(Cc3cccc(c3)C(F)(F)F)c12
Show InChI InChI=1S/C21H18F3NO2/c22-21(23,24)14-6-3-5-13(11-14)12-25-18-10-2-1-7-15(18)16-8-4-9-17(19(16)25)20(26)27/h3-6,8-9,11H,1-2,7,10,12H2,(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.66E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50247969
PNG
(9-(4-(trifluoromethyl)benzyl)-2,3,4,9-tetrahydro-1...)
Show SMILES OC(=O)c1cccc2c3CCCCc3n(Cc3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C21H18F3NO2/c22-21(23,24)14-10-8-13(9-11-14)12-25-18-7-2-1-4-15(18)16-5-3-6-17(19(16)25)20(26)27/h3,5-6,8-11H,1-2,4,7,12H2,(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.39E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50248237
PNG
(9-(4-methoxybenzyl)-2,3,4,9-tetrahydro-1H-carbazol...)
Show SMILES COc1ccc(Cn2c3CCCCc3c3cccc(C(O)=O)c23)cc1
Show InChI InChI=1S/C21H21NO3/c1-25-15-11-9-14(10-12-15)13-22-19-8-3-2-5-16(19)17-6-4-7-18(20(17)22)21(23)24/h4,6-7,9-12H,2-3,5,8,13H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.68E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50247987
PNG
(9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxy...)
Show SMILES OC(=O)c1cccc2c3CCCCc3n(Cc3ccccc3)c12
Show InChI InChI=1S/C20H19NO2/c22-20(23)17-11-6-10-16-15-9-4-5-12-18(15)21(19(16)17)13-14-7-2-1-3-8-14/h1-3,6-8,10-11H,4-5,9,12-13H2,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 3.88E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human H-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50248196
PNG
(9-(3-methoxybenzyl)-2,3,4,9-tetrahydro-1H-carbazol...)
Show SMILES COc1cccc(Cn2c3CCCCc3c3cccc(C(O)=O)c23)c1
Show InChI InChI=1S/C21H21NO3/c1-25-15-7-4-6-14(12-15)13-22-19-11-3-2-8-16(19)17-9-5-10-18(20(17)22)21(23)24/h4-7,9-10,12H,2-3,8,11,13H2,1H3,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human H-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50248237
PNG
(9-(4-methoxybenzyl)-2,3,4,9-tetrahydro-1H-carbazol...)
Show SMILES COc1ccc(Cn2c3CCCCc3c3cccc(C(O)=O)c23)cc1
Show InChI InChI=1S/C21H21NO3/c1-25-15-11-9-14(10-12-15)13-22-19-8-3-2-5-16(19)17-6-4-7-18(20(17)22)21(23)24/h4,6-7,9-12H,2-3,5,8,13H2,1H3,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human H-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50247970
PNG
(9-(4-methylbenzyl)-2,3,4,9-tetrahydro-1H-carbazole...)
Show SMILES Cc1ccc(Cn2c3CCCCc3c3cccc(C(O)=O)c23)cc1
Show InChI InChI=1S/C21H21NO2/c1-14-9-11-15(12-10-14)13-22-19-8-3-2-5-16(19)17-6-4-7-18(20(17)22)21(23)24/h4,6-7,9-12H,2-3,5,8,13H2,1H3,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human H-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50247995
PNG
(5-(4-fluorobenzyl)-5,6,7,8,9,10-hexahydrocyclohept...)
Show SMILES OC(=O)c1cccc2c3CCCCCc3n(Cc3ccc(F)cc3)c12
Show InChI InChI=1S/C21H20FNO2/c22-15-11-9-14(10-12-15)13-23-19-8-3-1-2-5-16(19)17-6-4-7-18(20(17)23)21(24)25/h4,6-7,9-12H,1-3,5,8,13H2,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human H-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human H-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50248193
PNG
(9-benzyl-4-oxo-2,3,4,9-tetrahydro-1H-carbazole-8-c...)
Show SMILES OC(=O)c1cccc2c3c(CCCC3=O)n(Cc3ccccc3)c12
Show InChI InChI=1S/C20H17NO3/c22-17-11-5-10-16-18(17)14-8-4-9-15(20(23)24)19(14)21(16)12-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12H2,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
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)


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
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)


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50248196
PNG
(9-(3-methoxybenzyl)-2,3,4,9-tetrahydro-1H-carbazol...)
Show SMILES COc1cccc(Cn2c3CCCCc3c3cccc(C(O)=O)c23)c1
Show InChI InChI=1S/C21H21NO3/c1-25-15-7-4-6-14(12-15)13-22-19-11-3-2-8-16(19)17-9-5-10-18(20(17)22)21(23)24/h4-7,9-10,12H,2-3,8,11,13H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair