Found 25 hits of ic50 data for polymerid = 50000871,5269 Target/Host (Institution) | Ligand | Target/Host 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 | pH | Temp °C |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | CHEMBL5281742
| PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL UniChem
| | n/a | n/a | 0.885 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | BDBM50506040
(CHEMBL4536502)Show InChI InChI=1S/C18H9ClN2O/c19-11-7-8-14-15(9-11)21-17(20-14)12-5-1-3-10-4-2-6-13(16(10)12)18(21)22/h1-9H | PDB
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UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description Displacement of [3H] 3-MC from AhR (unknown origin) |
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)) | BDBM50439845
(CHEMBL2420083)Show InChI InChI=1S/C21H16O4/c1-23-18-10-8-14(11-20(18)24-2)19-12-17(22)16-9-7-13-5-3-4-6-15(13)21(16)25-19/h3-12H,1-2H3 | PDB
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/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 incubated for 20 mins by gamma counting based autoradiograph... |
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)) | BDBM50014323
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | PDB
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UniProtKB/SwissProt
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/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 incubated for 20 mins by gamma counting based autoradiograph... |
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
(Homo sapiens (Human)) | BDBM50240990
(2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole | 5-...)Show InChI InChI=1S/C15H12FNO2S/c1-18-12-5-3-9(7-13(12)19-2)15-17-11-8-10(16)4-6-14(11)20-15/h3-8H,1-2H3 | PDB
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CHEMBL MCE PC cid PC sid UniChem
Similars
| | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | BDBM7462
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H | PDB
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Patents
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of aryl hydrocarbon receptor |
Bioorg Med Chem 15: 5047-60 (2007)
Article DOI: 10.1016/j.bmc.2007.05.046 BindingDB Entry DOI: 10.7270/Q20R9Q7F |
More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | BDBM50525572
(CH-223191 | CHEMBL1743245)Show InChI InChI=1S/C19H19N5O/c1-13-6-4-5-7-17(13)23-22-15-8-9-16(14(2)12-15)21-19(25)18-10-11-20-24(18)3/h4-12H,1-3H3,(H,21,25)/b23-22+ | PDB
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MCE PC cid PC sid UniChem
| | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | CHEMBL5266911
| PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | CHEMBL5271453
| PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL UniChem
| | n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | CHEMBL4303221
| PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL UniChem
| | n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | CHEMBL5280174
| PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL UniChem
| | n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | BDBM50269353
(CHEMBL4105559)Show InChI InChI=1S/C14H13NO2/c1-17-14-7-3-2-5-11(14)8-9-13(16)12-6-4-10-15-12/h2-10,15H,1H3/b9-8+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Leicester School of Pharmacy, De Montfort University, Leicester LE1 9BH, UK; CYP Design Limited, Innovation Centre, 49 Oxford Street, Leicester LE1 5XY, UK.
Curated by ChEMBL
| Assay Description Antagonist activity at human AhR expressed in Saccharomyces cerevisiae W303-1A (ATCC 208352) transformed with an episomal plasmid containing a minima... |
Bioorg Med Chem Lett 27: 3683-3687 (2017)
Article DOI: 10.1016/j.bmcl.2017.07.010 BindingDB Entry DOI: 10.7270/Q2B56N85 |
More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | BDBM50525572
(CH-223191 | CHEMBL1743245)Show InChI InChI=1S/C19H19N5O/c1-13-6-4-5-7-17(13)23-22-15-8-9-16(14(2)12-15)21-19(25)18-10-11-20-24(18)3/h4-12H,1-3H3,(H,21,25)/b23-22+ | PDB
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at AhR in human HepG2 cells assessed as inhibition of FICZ-induced AhR transcriptional activity incubated for 24 hrs by Quanti-Lu... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112777 BindingDB Entry DOI: 10.7270/Q29P359J |
More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | BDBM50191420
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-piperazin-1-yl...)Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCN1CCNCC1 |t:13| Show InChI InChI=1S/C22H22BrN5O2/c23-16-6-3-5-15-18(22(29)26-19(15)16)21-20(14-4-1-2-7-17(14)25-21)27-30-13-12-28-10-8-24-9-11-28/h1-7,24,26,29H,8-13H2/b27-20+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R.S.
Curated by ChEMBL
| Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay |
J Med Chem 49: 4638-49 (2006)
Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z |
More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | BDBM50191436
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-piperazin-1-yl...)Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCC[NH+]1CC[NH2+]CC1 |t:13| Show InChI InChI=1S/C22H22BrN5O2/c23-16-6-3-5-15-18(22(29)26-19(15)16)21-20(14-4-1-2-7-17(14)25-21)27-30-13-12-28-10-8-24-9-11-28/h1-7,24,26,29H,8-13H2/p+2/b27-20+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R.S.
Curated by ChEMBL
| Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay |
J Med Chem 49: 4638-49 (2006)
Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z |
More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | BDBM50269354
(CHEMBL1335197)Show InChI InChI=1S/C13H10ClNO/c14-11-5-2-1-4-10(11)7-8-13(16)12-6-3-9-15-12/h1-9,15H/b8-7+ | PDB
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UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Leicester School of Pharmacy, De Montfort University, Leicester LE1 9BH, UK; CYP Design Limited, Innovation Centre, 49 Oxford Street, Leicester LE1 5XY, UK.
Curated by ChEMBL
| Assay Description Antagonist activity at human AhR expressed in Saccharomyces cerevisiae W303-1A (ATCC 208352) transformed with an episomal plasmid containing a minima... |
Bioorg Med Chem Lett 27: 3683-3687 (2017)
Article DOI: 10.1016/j.bmcl.2017.07.010 BindingDB Entry DOI: 10.7270/Q2B56N85 |
More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | CHEMBL3252119
| PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL UniChem
| | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | CHEMBL5287208
| PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL UniChem
| | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | BDBM50191401
((2'Z,3' E)-1-methyl-7-bromoindirubin-3'-[O-(2-pyrr...)Show SMILES Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCC[NH+]2CCCC2)c2cccc(Br)c12 |t:5| Show InChI InChI=1S/C23H23BrN4O2/c1-27-22-16(8-6-9-17(22)24)19(23(27)29)21-20(15-7-2-3-10-18(15)25-21)26-30-14-13-28-11-4-5-12-28/h2-3,6-10,29H,4-5,11-14H2,1H3/p+1/b26-20+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R.S.
Curated by ChEMBL
| Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay |
J Med Chem 49: 4638-49 (2006)
Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z |
More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | BDBM50191395
((2'Z,3'E)-1-methyl-7-bromoindirubin-3'-[O-(2-pyrro...)Show SMILES Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCCN2CCCC2)c2cccc(Br)c12 |t:5| Show InChI InChI=1S/C23H23BrN4O2/c1-27-22-16(8-6-9-17(22)24)19(23(27)29)21-20(15-7-2-3-10-18(15)25-21)26-30-14-13-28-11-4-5-12-28/h2-3,6-10,29H,4-5,11-14H2,1H3/b26-20+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R.S.
Curated by ChEMBL
| Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay |
J Med Chem 49: 4638-49 (2006)
Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z |
More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | BDBM50191405
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O |(-1.26,-17.11,;-.79,-15.64,;.68,-15.16,;.67,-13.63,;1.81,-12.6,;3.27,-13.08,;1.49,-11.1,;.02,-10.63,;-1.11,-11.66,;-.79,-13.15,;-1.69,-14.4,;-3.23,-14.4,;-4.14,-15.67,;-5.62,-15.19,;-6.96,-15.96,;-8.3,-15.19,;-8.3,-13.64,;-6.96,-12.87,;-5.63,-13.63,;-4.15,-13.15,;-3.67,-11.68,;-4.97,-10.17,)| Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H | PDB
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R.S.
Curated by ChEMBL
| Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay |
J Med Chem 49: 4638-49 (2006)
Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z |
More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | BDBM50191422
((2'Z,3'E)-1-methyl-7-bromoindirubin-3'-[O-(2-dimet...)Show SMILES C[NH+](C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12 |c:8| Show InChI InChI=1S/C21H21BrN4O2/c1-25(2)11-12-28-24-18-13-7-4-5-10-16(13)23-19(18)17-14-8-6-9-15(22)20(14)26(3)21(17)27/h4-10,27H,11-12H2,1-3H3/p+1/b24-18+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R.S.
Curated by ChEMBL
| Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay |
J Med Chem 49: 4638-49 (2006)
Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z |
More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | BDBM50191396
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-dimethylaminoe...)Show SMILES CN(C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |c:8| Show InChI InChI=1S/C20H19BrN4O2/c1-25(2)10-11-27-24-18-12-6-3-4-9-15(12)22-19(18)16-13-7-5-8-14(21)17(13)23-20(16)26/h3-9,23,26H,10-11H2,1-2H3/b24-18+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R.S.
Curated by ChEMBL
| Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay |
J Med Chem 49: 4638-49 (2006)
Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z |
More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | BDBM50191411
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-dimethylaminoe...)Show SMILES C[NH+](C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |c:8| Show InChI InChI=1S/C20H19BrN4O2/c1-25(2)10-11-27-24-18-12-6-3-4-9-15(12)22-19(18)16-13-7-5-8-14(21)17(13)23-20(16)26/h3-9,23,26H,10-11H2,1-2H3/p+1/b24-18+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R.S.
Curated by ChEMBL
| Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay |
J Med Chem 49: 4638-49 (2006)
Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z |
More data for this Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | BDBM50191415
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-pyrrolidin-1-y...)Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCC[NH+]1CCCC1 |t:13| Show InChI InChI=1S/C22H21BrN4O2/c23-16-8-5-7-15-18(22(28)25-19(15)16)21-20(14-6-1-2-9-17(14)24-21)26-29-13-12-27-10-3-4-11-27/h1-2,5-9,25,28H,3-4,10-13H2/p+1/b26-20+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
C.N.R.S.
Curated by ChEMBL
| Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay |
J Med Chem 49: 4638-49 (2006)
Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z |
More data for this Ligand-Target Pair | |