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Compile Data Set for Download or QSAR

Found 10 hits of kd data for polymerid = 5269   
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
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM92704
PNG
(Photoaffinity ligand, 1)
Show SMILES Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2c(c1)N=[N]#N
Show InChI InChI=1S/C12H4Cl3N3O2/c13-5-1-8(17-18-16)12-11(2-5)19-9-3-6(14)7(15)4-10(9)20-12/h1-4H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
PubMed
n/an/an/a 0.440n/an/an/a7.50



University of Wisconsin



Assay Description
The equilibrium dissocation constants, KD values for the photoaffinity ligands were determined by a competitive binding assay.


J Biol Chem 261: 6352-65 (1986)


BindingDB Entry DOI: 10.7270/Q2X928X8
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM92706
PNG
(Photoaffinity ligand, 3)
Show SMILES Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)N=[N]#N
Show InChI InChI=1S/C12H4Cl3N3O2/c13-5-1-9-10(2-6(5)14)20-12-4-8(17-18-16)7(15)3-11(12)19-9/h1-4H
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/an/a 0.490n/an/an/a7.50



University of Wisconsin



Assay Description
The equilibrium dissocation constants, KD values for the photoaffinity ligands were determined by a competitive binding assay.


J Biol Chem 261: 6352-65 (1986)


BindingDB Entry DOI: 10.7270/Q2X928X8
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM92707
PNG
(Photoaffinity ligand, 4)
Show SMILES Brc1cc2Oc3cc(I)c(cc3Oc2cc1Br)N=[N]#N
Show InChI InChI=1S/C12H4Br2IN3O2/c13-5-1-9-10(2-6(5)14)20-12-4-8(17-18-16)7(15)3-11(12)19-9/h1-4H
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/an/a 0.760n/an/an/a7.50



University of Wisconsin



Assay Description
The equilibrium dissocation constants, KD values for the photoaffinity ligands were determined by a competitive binding assay.


J Biol Chem 261: 6352-65 (1986)


BindingDB Entry DOI: 10.7270/Q2X928X8
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM92705
PNG
(Photoaffinity ligand, 2)
Show SMILES Clc1cc2Oc3cc(Cl)c(I)c(N=[N]#N)c3Oc2cc1Cl
Show InChI InChI=1S/C12H3Cl3IN3O2/c13-4-1-7-8(2-5(4)14)21-12-9(20-7)3-6(15)10(16)11(12)18-19-17/h1-3H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/an/a 2.10n/an/an/a7.50



University of Wisconsin



Assay Description
The equilibrium dissocation constants, KD values for the photoaffinity ligands were determined by a competitive binding assay.


J Biol Chem 261: 6352-65 (1986)


BindingDB Entry DOI: 10.7270/Q2X928X8
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM50506039
PNG
(CHEMBL1324296)
Show SMILES COC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3
PDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3n/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]TCDD from mouse AhR


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111842
BindingDB Entry DOI: 10.7270/Q2N019SX
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM92709
PNG
(Photoaffinity ligand, 6)
Show SMILES Clc1cc2Oc3cc(Cl)c(Cl)c(CNC(=O)c4ccc(cc4)N=[N]#N)c3Oc2cc1Cl
Show InChI InChI=1S/C20H10Cl4N4O3/c21-12-5-15-16(6-13(12)22)31-19-11(18(24)14(23)7-17(19)30-15)8-26-20(29)9-1-3-10(4-2-9)27-28-25/h1-7H,8H2,(H,26,29)
PDB

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 8.10n/an/an/a7.50



University of Wisconsin



Assay Description
The equilibrium dissocation constants, KD values for the photoaffinity ligands were determined by a competitive binding assay.


J Biol Chem 261: 6352-65 (1986)


BindingDB Entry DOI: 10.7270/Q2X928X8
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM92711
PNG
(Photoaffinity ligand, 8)
Show SMILES Clc1cc2Oc3cc(Cl)c(Cl)c(CNC(=O)CCCCCNc4ccc(cc4N(=O)=O)N=[N]#N)c3Oc2cc1Cl
Show InChI InChI=1S/C25H20Cl4N6O5/c26-15-9-20-21(10-16(15)27)40-25-14(24(29)17(28)11-22(25)39-20)12-32-23(36)4-2-1-3-7-31-18-6-5-13(33-34-30)8-19(18)35(37)38/h5-6,8-11,31H,1-4,7,12H2,(H,32,36)
PDB

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PC cid
PC sid
UniChem
PubMed
n/an/an/a 11n/an/an/a7.50



University of Wisconsin



Assay Description
The equilibrium dissocation constants, KD values for the photoaffinity ligands were determined by a competitive binding assay.


J Biol Chem 261: 6352-65 (1986)


BindingDB Entry DOI: 10.7270/Q2X928X8
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM92708
PNG
(Photoaffinity ligand, 5)
Show SMILES Clc1cc2Oc3cc(Cl)c(Cl)c(CNC(=O)c4cc(ccc4N(=O)=O)N=[N]#N)c3Oc2cc1Cl
Show InChI InChI=1S/C20H9Cl4N5O5/c21-11-4-15-16(5-12(11)22)34-19-10(18(24)13(23)6-17(19)33-15)7-26-20(30)9-3-8(27-28-25)1-2-14(9)29(31)32/h1-6H,7H2,(H,26,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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KEGG
PC cid
PC sid
UniChem
PubMed
n/an/an/a 13n/an/an/a7.50



University of Wisconsin



Assay Description
The equilibrium dissocation constants, KD values for the photoaffinity ligands were determined by a competitive binding assay.


J Biol Chem 261: 6352-65 (1986)


BindingDB Entry DOI: 10.7270/Q2X928X8
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM50239186
PNG
(1,1-Bis(3''-Indolyl)Methane | 3,3''-Diindolylmetha...)
Show SMILES C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2
PDB

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MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 90n/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Displacement of 2-azido-3-[125I]7,8-dibromodibenzo-pdioxin from C57BL/6J mouse liver AhR


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111842
BindingDB Entry DOI: 10.7270/Q2N019SX
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM92710
PNG
(Photoaffinity ligand, 7)
Show SMILES Oc1cc(ccc1C(=O)NCc1c(Cl)c(Cl)cc2Oc3cc(Cl)c(Cl)cc3Oc12)N=[N]#N
Show InChI InChI=1S/C20H10Cl4N4O4/c21-11-4-15-16(5-12(11)22)32-19-10(18(24)13(23)6-17(19)31-15)7-26-20(30)9-2-1-8(27-28-25)3-14(9)29/h1-6,29H,7H2,(H,26,30)
PDB

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UniProtKB/SwissProt

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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 113n/an/an/a7.50



University of Wisconsin



Assay Description
The equilibrium dissocation constants, KD values for the photoaffinity ligands were determined by a competitive binding assay.


J Biol Chem 261: 6352-65 (1986)


BindingDB Entry DOI: 10.7270/Q2X928X8
More data for this
Ligand-Target Pair