BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'wolford' and Initial = 'ac'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5'-AMP-activated protein kinase subunit beta-1


(Homo sapiens (Human))
BDBM237920
PNG
(US9394285, 1)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1
Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant AMPKbeta1 in cryopreserved human hepatocytes assessed as reduction in 14C-2-acetic acid incorporation after 1 hr by scintil...


J Med Chem 61: 7273-7288 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-AMP-activated protein kinase subunit beta-1


(Homo sapiens (Human))
BDBM238079
PNG
(US9394285, 173)
Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N(C)C
Show InChI InChI=1S/C17H16ClN3O3/c1-21(2)15-5-4-9(16(20-15)24-3)10-6-11-12(17(22)23)8-19-14(11)7-13(10)18/h4-8,19H,1-3H3,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant AMPKbeta1 in cryopreserved human hepatocytes assessed as reduction in 14C-2-acetic acid incorporation after 1 hr by scintil...


J Med Chem 61: 7273-7288 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50428101
PNG
(CHEMBL2331648)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N5O3/c1-2-25-19-26-15-9-10-28(11-14(15)17(27-19)18(24)30)16(29)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,30)(H,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50428101
PNG
(CHEMBL2331648)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N5O3/c1-2-25-19-26-15-9-10-28(11-14(15)17(27-19)18(24)30)16(29)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,30)(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at GST-tagged human FXR assessed as binding of receptor to cofactor by TRF method


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50428101
PNG
(CHEMBL2331648)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N5O3/c1-2-25-19-26-15-9-10-28(11-14(15)17(27-19)18(24)30)16(29)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,30)(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human FXR assessed as ligand dependent binding of cofactor to the receptor-ligand complex by TRF method


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase subunit beta-1


(Homo sapiens (Human))
BDBM50463100
PNG
(CHEMBL4249790)
Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(Cl)c(cc23)-c2ccc(cc2)C2(O)CCC2)O[C@@H]([C@H]1O)C(O)=O
Show InChI InChI=1S/C25H24ClNO9/c26-16-9-17-14(8-13(16)11-2-4-12(5-3-11)25(34)6-1-7-25)15(10-27-17)23(33)36-24-20(30)18(28)19(29)21(35-24)22(31)32/h2-5,8-10,18-21,24,27-30,34H,1,6-7H2,(H,31,32)/t18-,19-,20+,21-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant AMPKbeta1 in cryopreserved human hepatocytes assessed as reduction in 14C-2-acetic acid incorporation after 1 hr by scintil...


J Med Chem 61: 7273-7288 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM237920
PNG
(US9394285, 1)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1
Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin)


J Med Chem 59: 8068-81 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00866
BindingDB Entry DOI: 10.7270/Q2PZ5BRC
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase subunit beta-1


(Homo sapiens (Human))
BDBM50463101
PNG
(CHEMBL4250253)
Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)N(C)C
Show InChI InChI=1S/C23H24ClN3O9/c1-27(2)15-5-4-9(20(26-15)34-3)10-6-11-12(8-25-14(11)7-13(10)24)22(33)36-23-18(30)16(28)17(29)19(35-23)21(31)32/h4-8,16-19,23,25,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,19-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant AMPKbeta1 in cryopreserved human hepatocytes assessed as reduction in 14C-2-acetic acid incorporation after 1 hr by scintil...


J Med Chem 61: 7273-7288 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00807
BindingDB Entry DOI: 10.7270/Q2Q242WT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50428101
PNG
(CHEMBL2331648)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N5O3/c1-2-25-19-26-15-9-10-28(11-14(15)17(27-19)18(24)30)16(29)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,30)(H,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50428101
PNG
(CHEMBL2331648)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N5O3/c1-2-25-19-26-15-9-10-28(11-14(15)17(27-19)18(24)30)16(29)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,30)(H,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50428101
PNG
(CHEMBL2331648)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N5O3/c1-2-25-19-26-15-9-10-28(11-14(15)17(27-19)18(24)30)16(29)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,30)(H,25,26,27)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50428101
PNG
(CHEMBL2331648)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N5O3/c1-2-25-19-26-15-9-10-28(11-14(15)17(27-19)18(24)30)16(29)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,30)(H,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50428101
PNG
(CHEMBL2331648)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N5O3/c1-2-25-19-26-15-9-10-28(11-14(15)17(27-19)18(24)30)16(29)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,30)(H,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428094
PNG
(CHEMBL2331643)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C19H23N5O2/c1-2-21-19-22-15-10-11-24(12-14(15)17(23-19)18(20)26)16(25)9-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,20,26)(H,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.32E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Mus musculus)
BDBM50428095
PNG
(CHEMBL2331646)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)C
Show InChI InChI=1S/C22H29N5O2/c1-4-24-22-25-18-11-12-27(13-17(18)20(26-22)21(23)29)19(28)10-7-15-5-8-16(9-6-15)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H2,23,29)(H,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.62E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at mouse TGR5 expressed in deoxycycline-induced CHO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF c...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50300199
PNG
(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@H](C)C(O)=O)[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C27H46O5/c1-6-17-20-12-16(28)9-10-26(20,4)21-13-22(29)27(5)18(14(2)11-15(3)25(31)32)7-8-19(27)23(21)24(17)30/h14-24,28-30H,6-13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18-,19+,20+,21+,22+,23+,24-,26+,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.54E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Rattus norvegicus)
BDBM50428095
PNG
(CHEMBL2331646)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)C
Show InChI InChI=1S/C22H29N5O2/c1-4-24-22-25-18-11-12-27(13-17(18)20(26-22)21(23)29)19(28)10-7-15-5-8-16(9-6-15)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H2,23,29)(H,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.93E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at rat TGR5 expressed in deoxycycline-induced CHO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF com...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428096
PNG
(CHEMBL2331644)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(C)cc1
Show InChI InChI=1S/C20H25N5O2/c1-3-22-20-23-16-10-11-25(12-15(16)18(24-20)19(21)27)17(26)9-8-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H2,21,27)(H,22,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.78E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50327516
PNG
(2-(4-bromophenyl)-N-((7-methoxy-2-(thiophen-3-yl)q...)
Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1
Show InChI InChI=1S/C23H21BrN2OS/c1-27-21-7-4-17-12-19(14-25-10-8-16-2-5-20(24)6-3-16)23(26-22(17)13-21)18-9-11-28-15-18/h2-7,9,11-13,15,25H,8,10,14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 3.22E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428097
PNG
(CHEMBL2331652)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(nc1)C(C)(F)F
Show InChI InChI=1S/C20H24F2N6O2/c1-3-24-19-26-14-8-9-28(11-13(14)17(27-19)18(23)30)16(29)7-5-12-4-6-15(25-10-12)20(2,21)22/h4,6,10H,3,5,7-9,11H2,1-2H3,(H2,23,30)(H,24,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.99E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428098
PNG
(CHEMBL2331647)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC)cc1
Show InChI InChI=1S/C20H25N5O3/c1-3-22-20-23-16-10-11-25(12-15(16)18(24-20)19(21)27)17(26)9-6-13-4-7-14(28-2)8-5-13/h4-5,7-8H,3,6,9-12H2,1-2H3,(H2,21,27)(H,22,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.43E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50415428
PNG
(CHEMBL604131)
Show SMILES CCc1nnn(c1C(=O)N(C)c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C18H17ClN4O/c1-3-16-17(23(21-20-16)15-7-5-4-6-8-15)18(24)22(2)14-11-9-13(19)10-12-14/h4-12H,3H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.42E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50414955
PNG
(CHEMBL576138)
Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C19H16Cl2N2O2/c1-11-8-9-13(10-16(11)21)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)20/h4-10H,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 316n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428094
PNG
(CHEMBL2331643)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C19H23N5O2/c1-2-21-19-22-15-10-11-24(12-14(15)17(23-19)18(20)26)16(25)9-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,20,26)(H,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 257n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428099
PNG
(CHEMBL2331645)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(CC)cc1
Show InChI InChI=1S/C21H27N5O2/c1-3-14-5-7-15(8-6-14)9-10-18(27)26-12-11-17-16(13-26)19(20(22)28)25-21(24-17)23-4-2/h5-8H,3-4,9-13H2,1-2H3,(H2,22,28)(H,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 215n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50300199
PNG
(6alpha-ethyl-23(S)-methyl-cholic acid | CHEMBL5676...)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@H](C)C(O)=O)[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show InChI InChI=1S/C27H46O5/c1-6-17-20-12-16(28)9-10-26(20,4)21-13-22(29)27(5)18(14(2)11-15(3)25(31)32)7-8-19(27)23(21)24(17)30/h14-24,28-30H,6-13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18-,19+,20+,21+,22+,23+,24-,26+,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 166n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428095
PNG
(CHEMBL2331646)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)C
Show InChI InChI=1S/C22H29N5O2/c1-4-24-22-25-18-11-12-27(13-17(18)20(26-22)21(23)29)19(28)10-7-15-5-8-16(9-6-15)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H2,23,29)(H,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 158n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428100
PNG
(CHEMBL2331650)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(CC(F)(F)F)cc1
Show InChI InChI=1S/C21H24F3N5O2/c1-2-26-20-27-16-9-10-29(12-15(16)18(28-20)19(25)31)17(30)8-7-13-3-5-14(6-4-13)11-21(22,23)24/h3-6H,2,7-12H2,1H3,(H2,25,31)(H,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 154n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50327516
PNG
(2-(4-bromophenyl)-N-((7-methoxy-2-(thiophen-3-yl)q...)
Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1
Show InChI InChI=1S/C23H21BrN2OS/c1-27-21-7-4-17-12-19(14-25-10-8-16-2-5-20(24)6-3-16)23(26-22(17)13-21)18-9-11-28-15-18/h2-7,9,11-13,15,25H,8,10,14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 154n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428101
PNG
(CHEMBL2331648)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N5O3/c1-2-25-19-26-15-9-10-28(11-14(15)17(27-19)18(24)30)16(29)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,30)(H,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 147n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TGR5 expressed in NCI-H716 cells assessed as increase in intracellular cAMP measured after 1 hr


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428102
PNG
(CHEMBL2331651)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)(F)F
Show InChI InChI=1S/C21H25F2N5O2/c1-3-25-20-26-16-10-11-28(12-15(16)18(27-20)19(24)30)17(29)9-6-13-4-7-14(8-5-13)21(2,22)23/h4-5,7-8H,3,6,9-12H2,1-2H3,(H2,24,30)(H,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 146n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428098
PNG
(CHEMBL2331647)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC)cc1
Show InChI InChI=1S/C20H25N5O3/c1-3-22-20-23-16-10-11-25(12-15(16)18(24-20)19(21)27)17(26)9-6-13-4-7-14(28-2)8-5-13/h4-5,7-8H,3,6,9-12H2,1-2H3,(H2,21,27)(H,22,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 137n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428103
PNG
(CHEMBL2331654)
Show SMILES CCOc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N4O4/c1-2-30-19-25-15-9-10-27(11-14(15)17(26-19)18(24)29)16(28)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 112n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428101
PNG
(CHEMBL2331648)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N5O3/c1-2-25-19-26-15-9-10-28(11-14(15)17(27-19)18(24)30)16(29)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,30)(H,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 in human PBMC cells assessed as increase in intracellular cAMP measured after 1 hr by human whole blood assay


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428104
PNG
(CHEMBL2331653)
Show SMILES CCc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N4O3/c1-2-16-25-15-9-10-27(11-14(15)18(26-16)19(24)29)17(28)8-5-12-3-6-13(7-4-12)30-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 83n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428096
PNG
(CHEMBL2331644)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(C)cc1
Show InChI InChI=1S/C20H25N5O2/c1-3-22-20-23-16-10-11-25(12-15(16)18(24-20)19(21)27)17(26)9-8-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H2,21,27)(H,22,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428101
PNG
(CHEMBL2331648)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N5O3/c1-2-25-19-26-15-9-10-28(11-14(15)17(27-19)18(24)30)16(29)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,30)(H,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 75n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428105
PNG
(CHEMBL2331649)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N5O2S/c1-2-25-19-26-15-9-10-28(11-14(15)17(27-19)18(24)30)16(29)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,30)(H,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50415428
PNG
(CHEMBL604131)
Show SMILES CCc1nnn(c1C(=O)N(C)c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C18H17ClN4O/c1-3-16-17(23(21-20-16)15-7-5-4-6-8-15)18(24)22(2)14-11-9-13(19)10-12-14/h4-12H,3H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 47n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428106
PNG
(CHEMBL2331655)
Show SMILES NC(=O)c1nc(nc2CCN(Cc12)C(=O)CCc1ccc(OC(F)(F)F)cc1)C1CC1
Show InChI InChI=1S/C21H21F3N4O3/c22-21(23,24)31-14-6-1-12(2-7-14)3-8-17(29)28-10-9-16-15(11-28)18(19(25)30)27-20(26-16)13-4-5-13/h1-2,6-7,13H,3-5,8-11H2,(H2,25,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 43n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428097
PNG
(CHEMBL2331652)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(nc1)C(C)(F)F
Show InChI InChI=1S/C20H24F2N6O2/c1-3-24-19-26-14-8-9-28(11-13(14)17(27-19)18(23)30)16(29)7-5-12-4-6-15(25-10-12)20(2,21)22/h4,6,10H,3,5,7-9,11H2,1-2H3,(H2,23,30)(H,24,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 43n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50414955
PNG
(CHEMBL576138)
Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C19H16Cl2N2O2/c1-11-8-9-13(10-16(11)21)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)20/h4-10H,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 24n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428099
PNG
(CHEMBL2331645)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(CC)cc1
Show InChI InChI=1S/C21H27N5O2/c1-3-14-5-7-15(8-6-14)9-10-18(27)26-12-11-17-16(13-26)19(20(22)28)25-21(24-17)23-4-2/h5-8H,3-4,9-13H2,1-2H3,(H2,22,28)(H,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.20n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428100
PNG
(CHEMBL2331650)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(CC(F)(F)F)cc1
Show InChI InChI=1S/C21H24F3N5O2/c1-2-26-20-27-16-9-10-29(12-15(16)18(28-20)19(25)31)17(30)8-7-13-3-5-14(6-4-13)11-21(22,23)24/h3-6H,2,7-12H2,1H3,(H2,25,31)(H,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.70n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428095
PNG
(CHEMBL2331646)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)C
Show InChI InChI=1S/C22H29N5O2/c1-4-24-22-25-18-11-12-27(13-17(18)20(26-22)21(23)29)19(28)10-7-15-5-8-16(9-6-15)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H2,23,29)(H,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.5n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428103
PNG
(CHEMBL2331654)
Show SMILES CCOc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N4O4/c1-2-30-19-25-15-9-10-27(11-14(15)17(26-19)18(24)29)16(28)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.30n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428106
PNG
(CHEMBL2331655)
Show SMILES NC(=O)c1nc(nc2CCN(Cc12)C(=O)CCc1ccc(OC(F)(F)F)cc1)C1CC1
Show InChI InChI=1S/C21H21F3N4O3/c22-21(23,24)31-14-6-1-12(2-7-14)3-8-17(29)28-10-9-16-15(11-28)18(19(25)30)27-20(26-16)13-4-5-13/h1-2,6-7,13H,3-5,8-11H2,(H2,25,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.80n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428102
PNG
(CHEMBL2331651)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)(F)F
Show InChI InChI=1S/C21H25F2N5O2/c1-3-25-20-26-16-10-11-28(12-15(16)18(27-20)19(24)30)17(29)9-6-13-4-7-14(8-5-13)21(2,22)23/h4-5,7-8H,3,6,9-12H2,1-2H3,(H2,24,30)(H,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.70n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428101
PNG
(CHEMBL2331648)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N5O3/c1-2-25-19-26-15-9-10-28(11-14(15)17(27-19)18(24)30)16(29)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,30)(H,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.30n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50428104
PNG
(CHEMBL2331653)
Show SMILES CCc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N4O3/c1-2-16-25-15-9-10-27(11-14(15)18(26-16)19(24)29)17(28)8-5-12-3-6-13(7-4-12)30-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


ACS Med Chem Lett 4: 63-8 (2013)


Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 110 total )  |  Next  |  Last  >>
Jump to: