BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 187 hits with Last Name = 'bass' and Initial = 'jy'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50336641
PNG
(6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H22Cl2N2O4/c1-16(2)28-21(27(33-37-28)26-22(30)4-3-5-23(26)31)15-36-20-10-6-17(7-11-20)18-8-12-24-19(14-18)9-13-25(32-24)29(34)35/h3-14,16H,15H2,1-2H3,(H,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsome


Bioorg Med Chem Lett 21: 1206-13 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.089
BindingDB Entry DOI: 10.7270/Q27D2VDD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM22164
PNG
((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylca...)
Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1
Show InChI InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsome


Bioorg Med Chem Lett 21: 1206-13 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.089
BindingDB Entry DOI: 10.7270/Q27D2VDD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50336640
PNG
((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEBI
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsome


Bioorg Med Chem Lett 21: 1206-13 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.089
BindingDB Entry DOI: 10.7270/Q27D2VDD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50336641
PNG
(6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H22Cl2N2O4/c1-16(2)28-21(27(33-37-28)26-22(30)4-3-5-23(26)31)15-36-20-10-6-17(7-11-20)18-8-12-24-19(14-18)9-13-25(32-24)29(34)35/h3-14,16H,15H2,1-2H3,(H,34,35)
PDB
MMDB

Reactome pathway
KEGG

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

Patents


Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsome


Bioorg Med Chem Lett 21: 1206-13 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.089
BindingDB Entry DOI: 10.7270/Q27D2VDD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM21363
PNG
(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Show SMILES Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12
Show InChI InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsome


Bioorg Med Chem Lett 21: 1206-13 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.089
BindingDB Entry DOI: 10.7270/Q27D2VDD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50336641
PNG
(6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H22Cl2N2O4/c1-16(2)28-21(27(33-37-28)26-22(30)4-3-5-23(26)31)15-36-20-10-6-17(7-11-20)18-8-12-24-19(14-18)9-13-25(32-24)29(34)35/h3-14,16H,15H2,1-2H3,(H,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsome


Bioorg Med Chem Lett 21: 1206-13 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.089
BindingDB Entry DOI: 10.7270/Q27D2VDD
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50336641
PNG
(6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H22Cl2N2O4/c1-16(2)28-21(27(33-37-28)26-22(30)4-3-5-23(26)31)15-36-20-10-6-17(7-11-20)18-8-12-24-19(14-18)9-13-25(32-24)29(34)35/h3-14,16H,15H2,1-2H3,(H,34,35)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsome


Bioorg Med Chem Lett 21: 1206-13 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.089
BindingDB Entry DOI: 10.7270/Q27D2VDD
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM21724
PNG
(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1...)
Show SMILES CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/an/an/a 59n/an/a7.522



GSK



Assay Description
The assay measures ligand-mediated interaction of the SRC-1 peptide with the FXR ligand binding domain, using biotinylated FXR LBD coupled to allophy...


Bioorg Med Chem Lett 18: 4339-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.073
BindingDB Entry DOI: 10.7270/Q2KK994P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor


(Homo sapiens (Human))
BDBM30329
PNG
(Naphthoic acid-based analog, 1b)
Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(cccc2c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)7-4-8-26(27)32)16-36-21-12-9-18(10-13-21)19-11-14-22-20(15-19)5-3-6-23(22)30(34)35/h3-15,17H,16H2,1-2H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/an/an/a 87n/an/a7.522



GSK



Assay Description
The assay measures ligand-mediated interaction of the SRC-1 peptide with the FXR ligand binding domain, using biotinylated FXR LBD coupled to allophy...


Bioorg Med Chem Lett 18: 4339-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.073
BindingDB Entry DOI: 10.7270/Q2KK994P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor


(Homo sapiens (Human))
BDBM30330
PNG
(Naphthoic acid-based analog, 1c)
Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)4-3-5-26(27)32)16-36-23-12-10-18(11-13-23)19-6-7-21-15-22(30(34)35)9-8-20(21)14-19/h3-15,17H,16H2,1-2H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 100n/an/a7.522



GSK



Assay Description
The assay measures ligand-mediated interaction of the SRC-1 peptide with the FXR ligand binding domain, using biotinylated FXR LBD coupled to allophy...


Bioorg Med Chem Lett 18: 4339-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.073
BindingDB Entry DOI: 10.7270/Q2KK994P
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM30331
PNG
(Naphthoic acid-based analog, 1d)
Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2ccc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)4-3-5-26(27)32)16-36-23-12-10-18(11-13-23)20-8-6-19-7-9-21(30(34)35)15-22(19)14-20/h3-15,17H,16H2,1-2H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 420n/an/a7.522



GSK



Assay Description
The assay measures ligand-mediated interaction of the SRC-1 peptide with the FXR ligand binding domain, using biotinylated FXR LBD coupled to allophy...


Bioorg Med Chem Lett 18: 4339-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.073
BindingDB Entry DOI: 10.7270/Q2KK994P
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM30332
PNG
(Naphthoic acid-based analog, 1e)
Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cccc(C(O)=O)c2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)7-4-8-26(27)32)16-36-21-13-11-18(12-14-21)20-10-9-19-5-3-6-22(30(34)35)23(19)15-20/h3-15,17H,16H2,1-2H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.30E+3n/an/a7.522



GSK



Assay Description
The assay measures ligand-mediated interaction of the SRC-1 peptide with the FXR ligand binding domain, using biotinylated FXR LBD coupled to allophy...


Bioorg Med Chem Lett 18: 4339-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.073
BindingDB Entry DOI: 10.7270/Q2KK994P
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM21724
PNG
(3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1...)
Show SMILES CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/an/an/a 65n/an/an/an/a



GSK



Assay Description
The cell-based assay measures the ligand-mediated luminescense resulting from FXR-induced transcription of a luciferase reporter. FXR and the lucifer...


Bioorg Med Chem Lett 18: 4339-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.073
BindingDB Entry DOI: 10.7270/Q2KK994P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor


(Homo sapiens (Human))
BDBM30329
PNG
(Naphthoic acid-based analog, 1b)
Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(cccc2c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)7-4-8-26(27)32)16-36-21-12-9-18(10-13-21)19-11-14-22-20(15-19)5-3-6-23(22)30(34)35/h3-15,17H,16H2,1-2H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/an/an/a 68n/an/an/an/a



GSK



Assay Description
The cell-based assay measures the ligand-mediated luminescense resulting from FXR-induced transcription of a luciferase reporter. FXR and the lucifer...


Bioorg Med Chem Lett 18: 4339-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.073
BindingDB Entry DOI: 10.7270/Q2KK994P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor


(Homo sapiens (Human))
BDBM30330
PNG
(Naphthoic acid-based analog, 1c)
Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)4-3-5-26(27)32)16-36-23-12-10-18(11-13-23)19-6-7-21-15-22(30(34)35)9-8-20(21)14-19/h3-15,17H,16H2,1-2H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 45n/an/an/an/a



GSK



Assay Description
The cell-based assay measures the ligand-mediated luminescense resulting from FXR-induced transcription of a luciferase reporter. FXR and the lucifer...


Bioorg Med Chem Lett 18: 4339-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.073
BindingDB Entry DOI: 10.7270/Q2KK994P
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM30331
PNG
(Naphthoic acid-based analog, 1d)
Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2ccc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)4-3-5-26(27)32)16-36-23-12-10-18(11-13-23)20-8-6-19-7-9-21(30(34)35)15-22(19)14-20/h3-15,17H,16H2,1-2H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 500n/an/an/an/a



GSK



Assay Description
The cell-based assay measures the ligand-mediated luminescense resulting from FXR-induced transcription of a luciferase reporter. FXR and the lucifer...


Bioorg Med Chem Lett 18: 4339-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.073
BindingDB Entry DOI: 10.7270/Q2KK994P
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM30332
PNG
(Naphthoic acid-based analog, 1e)
Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cccc(C(O)=O)c2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)7-4-8-26(27)32)16-36-21-13-11-18(12-14-21)20-10-9-19-5-3-6-22(30(34)35)23(19)15-20/h3-15,17H,16H2,1-2H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 3.30E+3n/an/an/an/a



GSK



Assay Description
The cell-based assay measures the ligand-mediated luminescense resulting from FXR-induced transcription of a luciferase reporter. FXR and the lucifer...


Bioorg Med Chem Lett 18: 4339-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.073
BindingDB Entry DOI: 10.7270/Q2KK994P
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258586
PNG
((R)-3-(4-((5-sec-butyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CC[C@@H](C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H24Cl3NO4/c1-3-17(2)28-22(27(33-37-28)26-23(30)8-5-9-24(26)31)16-36-21-13-12-19(25(32)15-21)11-10-18-6-4-7-20(14-18)29(34)35/h4-15,17H,3,16H2,1-2H3,(H,34,35)/b11-10+/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 105n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258558
PNG
((S)-3-(4-((5-sec-butyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CC[C@H](C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H24Cl3NO4/c1-3-17(2)28-22(27(33-37-28)26-23(30)8-5-9-24(26)31)16-36-21-13-12-19(25(32)15-21)11-10-18-6-4-7-20(14-18)29(34)35/h4-15,17H,3,16H2,1-2H3,(H,34,35)/b11-10+/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 190n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258557
PNG
(3-(2-chloro-4-((3-(2,6-dichlorophenyl)-5-(pentan-3...)
Show SMILES CCC(CC)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H26Cl3NO4/c1-3-19(4-2)29-23(28(34-38-29)27-24(31)9-6-10-25(27)32)17-37-22-14-13-20(26(33)16-22)12-11-18-7-5-8-21(15-18)30(35)36/h5-16,19H,3-4,17H2,1-2H3,(H,35,36)/b12-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258556
PNG
(3-(2-chloro-4-((5-cyclopentyl-3-(2,6-dichloropheny...)
Show SMILES OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3C3CCCC3)-c3c(Cl)cccc3Cl)cc2Cl)c1
Show InChI InChI=1S/C30H24Cl3NO4/c31-24-9-4-10-25(32)27(24)28-23(29(38-34-28)20-6-1-2-7-20)17-37-22-14-13-19(26(33)16-22)12-11-18-5-3-8-21(15-18)30(35)36/h3-5,8-16,20H,1-2,6-7,17H2,(H,35,36)/b12-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 560n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258513
PNG
(3-(2-chloro-4-((5-cyclobutyl-3-(2,6-dichlorophenyl...)
Show SMILES OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3C3CCC3)-c3c(Cl)cccc3Cl)cc2Cl)c1
Show InChI InChI=1S/C29H22Cl3NO4/c30-23-8-3-9-24(31)26(23)27-22(28(37-33-27)19-5-2-6-19)16-36-21-13-12-18(25(32)15-21)11-10-17-4-1-7-20(14-17)29(34)35/h1,3-4,7-15,19H,2,5-6,16H2,(H,34,35)/b11-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 410n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258512
PNG
(3-(2-chloro-4-((3-((trans)-2-(2,6-dichlorophenyl)c...)
Show SMILES CC(C)c1onc([C@H]2C[C@@H]2c2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C31H26Cl3NO4/c1-17(2)30-24(29(35-39-30)23-15-22(23)28-25(32)7-4-8-26(28)33)16-38-21-12-11-19(27(34)14-21)10-9-18-5-3-6-20(13-18)31(36)37/h3-14,17,22-23H,15-16H2,1-2H3,(H,36,37)/b10-9+/t22-,23-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258511
PNG
(3-(2-chloro-4-((3-(2,6-dichlorophenyl)-5-(1-methyl...)
Show SMILES CC(C)c1onc(CSc2nnnn2C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H24ClN5O4S/c1-15(2)23-20(22(28-35-23)14-36-25-27-29-30-31(25)3)13-34-19-10-9-17(21(26)12-19)8-7-16-5-4-6-18(11-16)24(32)33/h4-12,15H,13-14H2,1-3H3,(H,32,33)/b8-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 930n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258486
PNG
(3-(2-chloro-4-((5-isopropyl-3-((naphthalen-1-yloxy...)
Show SMILES CC(C)c1onc(COc2cccc3ccccc23)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C33H28ClNO5/c1-21(2)32-28(30(35-40-32)20-39-31-12-6-9-23-8-3-4-11-27(23)31)19-38-26-16-15-24(29(34)18-26)14-13-22-7-5-10-25(17-22)33(36)37/h3-18,21H,19-20H2,1-2H3,(H,36,37)/b14-13+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 960n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258485
PNG
(3-(2-chloro-4-((5-isopropyl-3-((naphthalen-2-yloxy...)
Show SMILES CC(C)c1onc(COc2ccc3ccccc3c2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C33H28ClNO5/c1-21(2)32-29(31(35-40-32)20-39-27-14-12-23-7-3-4-8-25(23)17-27)19-38-28-15-13-24(30(34)18-28)11-10-22-6-5-9-26(16-22)33(36)37/h3-18,21H,19-20H2,1-2H3,(H,36,37)/b11-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 930n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258484
PNG
(3-(2-chloro-4-((3-((4-chloro-2,6-dimethylphenoxy)m...)
Show SMILES CC(C)c1onc(COc2c(C)cc(Cl)cc2C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C31H29Cl2NO5/c1-18(2)29-26(28(34-39-29)17-38-30-19(3)12-24(32)13-20(30)4)16-37-25-11-10-22(27(33)15-25)9-8-21-6-5-7-23(14-21)31(35)36/h5-15,18H,16-17H2,1-4H3,(H,35,36)/b9-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 130n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258453
PNG
(3-(2-chloro-4-((5-isopropyl-3-((2,4,6-trichlorophe...)
Show SMILES CC(C)c1onc(COc2c(Cl)cc(Cl)cc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H23Cl4NO5/c1-16(2)27-22(26(34-39-27)15-38-28-24(32)11-20(30)12-25(28)33)14-37-21-9-8-18(23(31)13-21)7-6-17-4-3-5-19(10-17)29(35)36/h3-13,16H,14-15H2,1-2H3,(H,35,36)/b7-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 58n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258452
PNG
(3-(2-chloro-4-((5-isopropyl-3-((2,4,6-trifluorophe...)
Show SMILES CC(C)c1onc(COc2c(F)cc(F)cc2F)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H23ClF3NO5/c1-16(2)27-22(26(34-39-27)15-38-28-24(32)11-20(31)12-25(28)33)14-37-21-9-8-18(23(30)13-21)7-6-17-4-3-5-19(10-17)29(35)36/h3-13,16H,14-15H2,1-2H3,(H,35,36)/b7-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 110n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258451
PNG
(3-(2-chloro-4-((3-((2,6-dichloro-4-fluorophenoxy)m...)
Show SMILES CC(C)c1onc(COc2c(Cl)cc(F)cc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H23Cl3FNO5/c1-16(2)27-22(26(34-39-27)15-38-28-24(31)11-20(33)12-25(28)32)14-37-21-9-8-18(23(30)13-21)7-6-17-4-3-5-19(10-17)29(35)36/h3-13,16H,14-15H2,1-2H3,(H,35,36)/b7-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 87n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258423
PNG
(3-(2-chloro-4-((3-((3,5-dichlorophenoxy)methyl)-5-...)
Show SMILES CC(C)c1onc(COc2cc(Cl)cc(Cl)c2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H24Cl3NO5/c1-17(2)28-25(27(33-38-28)16-37-24-12-21(30)11-22(31)13-24)15-36-23-9-8-19(26(32)14-23)7-6-18-4-3-5-20(10-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)/b7-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258422
PNG
(3-(2-chloro-4-((3-((3,4-dichlorophenoxy)methyl)-5-...)
Show SMILES CC(C)c1onc(COc2ccc(Cl)c(Cl)c2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H24Cl3NO5/c1-17(2)28-23(27(33-38-28)16-37-22-10-11-24(30)26(32)14-22)15-36-21-9-8-19(25(31)13-21)7-6-18-4-3-5-20(12-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)/b7-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258421
PNG
(3-(2-chloro-4-((3-((2,5-dichlorophenoxy)methyl)-5-...)
Show SMILES CC(C)c1onc(COc2cc(Cl)ccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H24Cl3NO5/c1-17(2)28-23(26(33-38-28)16-37-27-13-21(30)9-11-24(27)31)15-36-22-10-8-19(25(32)14-22)7-6-18-4-3-5-20(12-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)/b7-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258323
PNG
(3-(2-chloro-4-((3-((2,4-dichlorophenoxy)methyl)-5-...)
Show SMILES CC(C)c1onc(COc2ccc(Cl)cc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H24Cl3NO5/c1-17(2)28-23(26(33-38-28)16-37-27-11-9-21(30)13-25(27)32)15-36-22-10-8-19(24(31)14-22)7-6-18-4-3-5-20(12-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)/b7-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 620n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258283
PNG
(3-(2-chloro-4-((3-((2,3-dichlorophenoxy)methyl)-5-...)
Show SMILES CC(C)c1onc(COc2cccc(Cl)c2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H24Cl3NO5/c1-17(2)28-22(25(33-38-28)16-37-26-8-4-7-23(30)27(26)32)15-36-21-12-11-19(24(31)14-21)10-9-18-5-3-6-20(13-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)/b10-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 480n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258282
PNG
(3-(2-chloro-4-((3-((2,6-difluorophenoxy)methyl)-5-...)
Show SMILES CC(C)c1onc(COc2c(F)cccc2F)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H24ClF2NO5/c1-17(2)27-22(26(33-38-27)16-37-28-24(31)7-4-8-25(28)32)15-36-21-12-11-19(23(30)14-21)10-9-18-5-3-6-20(13-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)/b10-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258281
PNG
(3-(2-chloro-4-((3-((2-chloro-6-fluorophenoxy)methy...)
Show SMILES CC(C)c1onc(COc2c(F)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H24Cl2FNO5/c1-17(2)27-22(26(33-38-27)16-37-28-23(30)7-4-8-25(28)32)15-36-21-12-11-19(24(31)14-21)10-9-18-5-3-6-20(13-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)/b10-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 74n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258852
PNG
(3-(2-chloro-4-((3-((2,6-dimethylphenoxy)methyl)-5-...)
Show SMILES CC(C)c1onc(COc2c(C)cccc2C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C31H30ClNO5/c1-19(2)29-26(28(33-38-29)18-37-30-20(3)7-5-8-21(30)4)17-36-25-14-13-23(27(32)16-25)12-11-22-9-6-10-24(15-22)31(34)35/h5-16,19H,17-18H2,1-4H3,(H,34,35)/b12-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 17n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258851
PNG
(3-(2-chloro-4-((3-((2-chloro-6-methylphenoxy)methy...)
Show SMILES CC(C)c1onc(COc2c(C)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C30H27Cl2NO5/c1-18(2)28-24(27(33-38-28)17-37-29-19(3)6-4-9-25(29)31)16-36-23-13-12-21(26(32)15-23)11-10-20-7-5-8-22(14-20)30(34)35/h4-15,18H,16-17H2,1-3H3,(H,34,35)/b11-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 48n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258850
PNG
(3-(2-chloro-4-((3-((4-chlorophenoxy)methyl)-5-isop...)
Show SMILES CC(C)c1onc(COc2ccc(Cl)cc2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H25Cl2NO5/c1-18(2)28-25(27(32-37-28)17-36-23-12-9-22(30)10-13-23)16-35-24-11-8-20(26(31)15-24)7-6-19-4-3-5-21(14-19)29(33)34/h3-15,18H,16-17H2,1-2H3,(H,33,34)/b7-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 450n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258810
PNG
(3-(2-chloro-4-((3-((3-chlorophenoxy)methyl)-5-isop...)
Show SMILES CC(C)c1onc(COc2cccc(Cl)c2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H25Cl2NO5/c1-18(2)28-25(27(32-37-28)17-36-23-8-4-7-22(30)14-23)16-35-24-12-11-20(26(31)15-24)10-9-19-5-3-6-21(13-19)29(33)34/h3-15,18H,16-17H2,1-2H3,(H,33,34)/b10-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 310n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258809
PNG
(3-(2-chloro-4-((3-((2-chlorophenoxy)methyl)-5-isop...)
Show SMILES CC(C)c1onc(COc2ccccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H25Cl2NO5/c1-18(2)28-23(26(32-37-28)17-36-27-9-4-3-8-24(27)30)16-35-22-13-12-20(25(31)15-22)11-10-19-6-5-7-21(14-19)29(33)34/h3-15,18H,16-17H2,1-2H3,(H,33,34)/b11-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 460n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258808
PNG
(3-(2-chloro-4-((3-((2,6-dichlorophenylsulfonyl)met...)
Show SMILES CC(C)c1onc(CS(=O)(=O)c2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H24Cl3NO6S/c1-17(2)27-22(26(33-39-27)16-40(36,37)28-23(30)7-4-8-24(28)31)15-38-21-12-11-19(25(32)14-21)10-9-18-5-3-6-20(13-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)/b10-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 150n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258778
PNG
(3-(2-chloro-4-((3-((2,6-dichlorophenylsulfinyl)met...)
Show SMILES CC(C)c1onc(CS(=O)c2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H24Cl3NO5S/c1-17(2)27-22(26(33-38-27)16-39(36)28-23(30)7-4-8-24(28)31)15-37-21-12-11-19(25(32)14-21)10-9-18-5-3-6-20(13-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)/b10-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 28n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258777
PNG
(3-(2-chloro-4-((3-((2,6-dichlorophenylthio)methyl)...)
Show SMILES CC(C)c1onc(CSc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H24Cl3NO4S/c1-17(2)27-22(26(33-37-27)16-38-28-23(30)7-4-8-24(28)31)15-36-21-12-11-19(25(32)14-21)10-9-18-5-3-6-20(13-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)/b10-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 51n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258776
PNG
(3-(2-chloro-4-((3-((3,5-dichloropyridin-4-ylamino)...)
Show SMILES CC(C)c1onc(CNc2c(Cl)cncc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C28H24Cl3N3O4/c1-16(2)27-21(25(34-38-27)14-33-26-23(30)12-32-13-24(26)31)15-37-20-9-8-18(22(29)11-20)7-6-17-4-3-5-19(10-17)28(35)36/h3-13,16H,14-15H2,1-2H3,(H,32,33)(H,35,36)/b7-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 400n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258746
PNG
(3-(2-chloro-4-((3-((2,6-dichlorophenylamino)methyl...)
Show SMILES CC(C)c1onc(CNc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H25Cl3N2O4/c1-17(2)28-22(26(34-38-28)15-33-27-23(30)7-4-8-24(27)31)16-37-21-12-11-19(25(32)14-21)10-9-18-5-3-6-20(13-18)29(35)36/h3-14,17,33H,15-16H2,1-2H3,(H,35,36)/b10-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 72n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258745
PNG
(3-(2-chloro-4-((3-((2,6-dichlorophenoxy)methyl)-5-...)
Show SMILES CC(C)c1onc(COc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H24Cl3NO5/c1-17(2)27-22(26(33-38-27)16-37-28-23(30)7-4-8-24(28)31)15-36-21-12-11-19(25(32)14-21)10-9-18-5-3-6-20(13-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)/b10-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 78n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258744
PNG
(3-(2-chloro-4-((5-isopropyl-3-(phenoxymethyl)isoxa...)
Show SMILES CC(C)c1onc(COc2ccccc2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C29H26ClNO5/c1-19(2)28-25(27(31-36-28)18-35-23-9-4-3-5-10-23)17-34-24-14-13-21(26(30)16-24)12-11-20-7-6-8-22(15-20)29(32)33/h3-16,19H,17-18H2,1-2H3,(H,32,33)/b12-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50258713
PNG
(3-(2-chloro-4-((3-(hydroxymethyl)-5-isopropylisoxa...)
Show SMILES CC(C)c1onc(CO)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C23H22ClNO5/c1-14(2)22-19(21(12-26)25-30-22)13-29-18-9-8-16(20(24)11-18)7-6-15-4-3-5-17(10-15)23(27)28/h3-11,14,26H,12-13H2,1-2H3,(H,27,28)/b7-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 7.80E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay


Bioorg Med Chem Lett 19: 2969-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.047
BindingDB Entry DOI: 10.7270/Q2JH3M27
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 187 total )  |  Next  |  Last  >>
Jump to: