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Compile Data Set for Download or QSAR

Found 363 hits with Last Name = 'jahangir' and Initial = 'a'   
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
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223834
PNG
(CHEMBL9910)
Show SMILES COc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 |t:12|
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25n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223868
PNG
(CHEMBL9604)
Show SMILES CC(C)Oc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:14|
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32n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223861
PNG
(CHEMBL9552)
Show SMILES CCOc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:13|
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40n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223839
PNG
(CHEMBL8935)
Show SMILES FC(F)(F)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:14|
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50n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223848
PNG
(CHEMBL10241)
Show SMILES COc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:12|
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50n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223848
PNG
(CHEMBL10241)
Show SMILES COc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:12|
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50n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223860
PNG
(CHEMBL9846)
Show SMILES CCOC(=O)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:15|
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50n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223835
PNG
(CHEMBL273530)
Show SMILES COc1ccc(Sc2ccc(NC3=NC(C)CN3)cc2)cc1 |t:12|
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63n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223869
PNG
(CHEMBL10024)
Show SMILES COc1ccc(Sc2ccc(NC3=NCCCN3)cc2)cc1 |t:12|
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79n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223862
PNG
(CHEMBL9371)
Show SMILES CS(=O)(=O)Nc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:15|
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79n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223851
PNG
(CHEMBL9883)
Show SMILES Clc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:11|
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79n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223828
PNG
(CHEMBL9172)
Show SMILES Cc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:11|
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100n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223854
PNG
(CHEMBL9573)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(NC2=NCCN2)cc1 |t:17|
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158n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223855
PNG
(CHEMBL9873)
Show SMILES COc1ccc(Oc2ccc(NC3=NCCN3)cc2)cc1 |t:12|
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158n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223863
PNG
(CHEMBL9368)
Show SMILES CC(C)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:13|
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251n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223833
PNG
(CHEMBL269403)
Show SMILES CC\N=C(/N)Nc1ccc(Sc2ccc(OC)cc2)cc1
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251n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223850
PNG
(CHEMBL9998)
Show SMILES COc1ccc(Sc2ccc(cc2)C2=NCCN2)cc1 |t:14|
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316n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223844
PNG
(CHEMBL9639)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:13|
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316n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223830
PNG
(CHEMBL9744)
Show SMILES COc1ccc(cc1)C(=O)c1ccc(NC2=NCCN2)cc1 |t:16|
NCI pathway
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316n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223838
PNG
(CHEMBL9398)
Show SMILES COc1cccc(Sc2ccc(NC3=NCCN3)cc2)c1 |t:13|
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398n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223856
PNG
(CHEMBL9558)
Show SMILES CC(C)(C)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:14|
NCI pathway
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398n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223829
PNG
(CHEMBL10045)
Show SMILES Clc1ccc(Sc2ccc(CNC3=NCCN3)cc2)cc1 |t:12|
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501n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223866
PNG
(CHEMBL10044)
Show SMILES COc1ccc(cc1)N(C)c1ccc(NC2=NCCN2)cc1 |t:16|
NCI pathway
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501n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223845
PNG
(CHEMBL275124)
Show SMILES Clc1cccc(Cl)c1Sc1ccc(NC2=NCCN2)cc1 |t:15|
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631n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223859
PNG
(CHEMBL9868)
Show SMILES COc1ccc(Sc2ccccc2NC2=NCCN2)cc1 |t:15|
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631n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223837
PNG
(CHEMBL9648)
Show SMILES COc1ccc(Sc2ccc(NC3=NC(C)(C)CN3)cc2)cc1 |t:12|
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631n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223832
PNG
(CHEMBL9649)
Show SMILES C1CN=C(Nc2ccc(Sc3ccc4OCCOc4c3)cc2)N1 |t:2|
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631n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223865
PNG
(CHEMBL9580)
Show SMILES CC\N=C(/N)Nc1ccc(Sc2ccc(Cl)cc2)cc1
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631n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223858
PNG
(CHEMBL9626)
Show SMILES COc1ccc(OC)c(Sc2ccc(NC3=NCCN3)cc2)c1 |t:15|
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794n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223843
PNG
(CHEMBL430286)
Show SMILES C1CN=C(Nc2ccc(Sc3ccccc3)cc2)N1 |t:2|
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794n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223840
PNG
(CHEMBL9936)
Show SMILES COc1ccc(cc1)-c1ccc(NC2=NCCN2)cc1 |t:14|
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1.00E+3n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223831
PNG
(CHEMBL10058)
Show SMILES COc1ccc(Sc2ccc(NC3=NCCCCN3)cc2)cc1 |t:12|
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1.26E+3n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223842
PNG
(CHEMBL9953)
Show SMILES COc1ccc(Sc2ccc(cc2)C(N)=N)cc1
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1.26E+3n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223849
PNG
(CHEMBL269520)
Show SMILES C1CN=C(Nc2ccc3sc4ccccc4c3c2)N1 |t:2|
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3.16E+3n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223826
PNG
(CHEMBL9583)
Show SMILES C1CN=C(Nc2ccc(SC3CCCCC3)cc2)N1 |t:2|
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3.16E+3n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223847
PNG
(CHEMBL275233)
Show SMILES COc1ccc(Sc2cccc(NC3=NCCN3)c2)cc1 |t:13|
NCI pathway
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3.98E+3n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223857
PNG
(CHEMBL9442)
Show SMILES COc1ccccc1Sc1ccc(NC2=NCCN2)cc1 |t:15|
NCI pathway
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3.98E+3n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223867
PNG
(CHEMBL9999)
Show SMILES COc1ccc(Sc2ccc(CC3=NCCN3)cc2)cc1 |t:12|
NCI pathway
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5.01E+3n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223827
PNG
(CHEMBL10074)
Show SMILES CC\N=C(/N)NCc1ccc(Sc2ccc(Cl)cc2)cc1
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<1.00E+4n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223841
PNG
(CHEMBL9166)
Show SMILES COc1ccc(Sc2ccc3N=C4NCCN4Cc3c2)cc1 |t:11|
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<1.00E+4n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223846
PNG
(CHEMBL9367)
Show SMILES COc1ccc(Sc2ccc(CN3CCCC3)cc2)cc1
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1.00E+4n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223836
PNG
(CHEMBL9541)
Show SMILES OC(=O)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:13|
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<1.00E+4n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223870
PNG
(CHEMBL9441)
Show SMILES CSc1ccc(NC2=NCCN2)cc1 |t:7|
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<1.00E+4n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223853
PNG
(CHEMBL276885)
Show SMILES COc1ccc(Sc2ccc(Cc3c[nH]cn3)cc2)cc1
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<1.00E+4n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223852
PNG
(CHEMBL9690)
Show SMILES CCN\C(Nc1ccc(Sc2ccc(OC)cc2)cc1)=N/CC
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<1.00E+4n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50223864
PNG
(CHEMBL274054)
Show SMILES COc1ccc(Sc2ccc(cc2)-c2ncc[nH]2)cc1
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<1.00E+4n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1053-6 (2004)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50257636
PNG
(5-(5-iodo-2-isopropyl-4-methoxyphenoxy)pyrimidine-...)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I
Show InChI InChI=1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
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1.00E+8n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor


Bioorg Med Chem Lett 19: 1628-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50257636
PNG
(5-(5-iodo-2-isopropyl-4-methoxyphenoxy)pyrimidine-...)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I
Show InChI InChI=1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
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1.00E+8n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of 5HT6 receptor


Bioorg Med Chem Lett 19: 1628-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50257636
PNG
(5-(5-iodo-2-isopropyl-4-methoxyphenoxy)pyrimidine-...)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I
Show InChI InChI=1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
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1.00E+8n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of 5HT2A receptor


Bioorg Med Chem Lett 19: 1628-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50257636
PNG
(5-(5-iodo-2-isopropyl-4-methoxyphenoxy)pyrimidine-...)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I
Show InChI InChI=1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
PDB

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1.00E+8n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of 5HT3 receptor


Bioorg Med Chem Lett 19: 1628-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
More data for this
Ligand-Target Pair
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