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BDBM50212873 ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID::BMS309403::CHEMBL247920::[2'-(5-Ethyl-3,4-diphenyl-pyrazol-1-yl)-biphenyl-3-yloxy]-acetic acid

SMILES: CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1

InChI Key: InChIKey=SJRVJRYZAQYCEE-UHFFFAOYSA-N

Data: 8 KI  2 IC50

PDB links: 2 PDB IDs match this monomer.

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 11 hits for monomerid = 50212873   
Target
(Institution)
LigandTarget
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))
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)
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7.40n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
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15n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of fluorescent 1-anilinonapthalene 8-sulfonic acid from human a-FABP by fluorescence spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver fatty acid binding protein (FABP1)


(Mus musculus (Mouse))
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)
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21n/an/an/an/an/an/an/an/a



Avanti Polar Lipids



Assay Description
The following fluorescent ligand displacement assays at 24 C were used to further confirm and/or determine if the cytosolic lipidic ligand "chaperon...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Rattus norvegicus)
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)
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29n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of rat ap2 by fluorescent 1,8-anilino-8-naphthalene sulfonate assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver fatty acid binding protein (FABP1)


(Mus musculus (Mouse))
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)
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52n/an/an/an/an/an/an/an/a



Avanti Polar Lipids



Assay Description
The following fluorescent ligand displacement assays at 24 C were used to further confirm and/or determine if the cytosolic lipidic ligand "chaperon...


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)
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160n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein muscle


(Homo sapiens)
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)
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250n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from mFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(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)
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350n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein muscle


(Homo sapiens)
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)
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3.47E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of fluorescent 1-anilinonapthalene 8-sulfonic acid from human h-FABP by fluorescence spectrophotometry


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)
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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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein muscle


(Homo sapiens)
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)
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n/an/a 1.47E+4n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Citation and Details
More data for this
Ligand-Target Pair