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7 similar compounds to monomer 50399955

Wt: 443.3
BDBM50399939
Wt: 457.3
BDBM50399940
Wt: 441.3
BDBM50399956
Wt: 443.3
BDBM50399957
Wt: 455.3
BDBM50399960
Wt: 429.2
BDBM50399961
Wt: 417.2
BDBM50399937

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50399939,50399940,50399956,50399957,50399960,50399961,50399937   
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
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50399937
PNG
(CHEMBL2181241)
Show SMILES CN(C)c1ccccc1N(C)C(=O)c1cncnc1Oc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C20H18Cl2N4O2/c1-25(2)16-6-4-5-7-17(16)26(3)20(27)14-11-23-12-24-19(14)28-18-10-13(21)8-9-15(18)22/h4-12H,1-3H3
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Article
PubMed
n/an/an/an/a 3.71E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50399939
PNG
(CHEMBL2181254)
Show SMILES CC(C)N1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H20Cl2N4O2/c1-14(2)27-9-10-28(19-6-4-3-5-18(19)27)22(29)16-12-25-13-26-21(16)30-20-11-15(23)7-8-17(20)24/h3-8,11-14H,9-10H2,1-2H3
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PubMed
n/an/an/an/a 710n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50399940
PNG
(CHEMBL2181257)
Show SMILES CCCCN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc12
Show InChI InChI=1S/C23H22Cl2N4O2/c1-2-3-10-28-11-12-29(20-7-5-4-6-19(20)28)23(30)17-14-26-15-27-22(17)31-21-13-16(24)8-9-18(21)25/h4-9,13-15H,2-3,10-12H2,1H3
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PubMed
n/an/an/an/a 590n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50399961
PNG
(CHEMBL2181252)
Show SMILES CCN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H18Cl2N4O2/c1-2-26-9-10-27(18-6-4-3-5-17(18)26)21(28)15-12-24-13-25-20(15)29-19-11-14(22)7-8-16(19)23/h3-8,11-13H,2,9-10H2,1H3
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UniProtKB/SwissProt

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PubMed
n/an/an/an/a 20n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50399957
PNG
(CHEMBL2181253)
Show SMILES CCCN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H20Cl2N4O2/c1-2-9-27-10-11-28(19-6-4-3-5-18(19)27)22(29)16-13-25-14-26-21(16)30-20-12-15(23)7-8-17(20)24/h3-8,12-14H,2,9-11H2,1H3
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Article
PubMed
n/an/an/an/a 30n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50399960
PNG
(CHEMBL2181231)
Show SMILES Clc1ccc(Cl)c(Oc2ncncc2C(=O)N2CCN(C3CCC3)c3ccccc23)c1
Show InChI InChI=1S/C23H20Cl2N4O2/c24-15-8-9-18(25)21(12-15)31-22-17(13-26-14-27-22)23(30)29-11-10-28(16-4-3-5-16)19-6-1-2-7-20(19)29/h1-2,6-9,12-14,16H,3-5,10-11H2
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PubMed
n/an/an/an/a 23n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50399956
PNG
(CHEMBL2181255)
Show SMILES Clc1ccc(Cl)c(Oc2ncncc2C(=O)N2CCN(CC=C)c3ccccc23)c1
Show InChI InChI=1S/C22H18Cl2N4O2/c1-2-9-27-10-11-28(19-6-4-3-5-18(19)27)22(29)16-13-25-14-26-21(16)30-20-12-15(23)7-8-17(20)24/h2-8,12-14H,1,9-11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 30n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair