Found 358 hits with Last Name = 'peckham' and Initial = 'ge' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422916
(CHEMBL215643)Show SMILES CN(C)c1nc2ccc(cc2n1C)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H18ClN5OS/c1-26(2)22-25-16-9-8-15(10-18(16)27(22)3)28-12-24-17-11-19(30-20(17)21(28)29)13-4-6-14(23)7-5-13/h4-12H,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422890
(CHEMBL213813)Show SMILES Cc1nc2cc(ccc2n1CCCO)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19ClN4O2S/c1-14-26-18-11-17(7-8-20(18)27(14)9-2-10-29)28-13-25-19-12-21(31-22(19)23(28)30)15-3-5-16(24)6-4-15/h3-8,11-13,29H,2,9-10H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422893
(CHEMBL384724)Show SMILES Cc1nc2cc(ccc2n1CCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H24ClN5OS/c1-17-29-21-14-20(8-9-23(21)31(17)13-12-30-10-2-3-11-30)32-16-28-22-15-24(34-25(22)26(32)33)18-4-6-19(27)7-5-18/h4-9,14-16H,2-3,10-13H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615811
(CHEMBL5272869) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422903
(CHEMBL214716)Show SMILES CN(C)c1nc2ccc(cc2[nH]1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H16ClN5OS/c1-26(2)21-24-15-8-7-14(9-16(15)25-21)27-11-23-17-10-18(29-19(17)20(27)28)12-3-5-13(22)6-4-12/h3-11H,1-2H3,(H,24,25) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615823
(CHEMBL5289520) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422896
(CHEMBL214705)Show SMILES CCOc1ccc(cc1)-n1c(C)nc2cc(ccc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H21ClN4O2S/c1-3-35-22-11-8-20(9-12-22)33-17(2)31-23-14-21(10-13-25(23)33)32-16-30-24-15-26(36-27(24)28(32)34)18-4-6-19(29)7-5-18/h4-16H,3H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422887
(CHEMBL215868)Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc([nH]c4c3)N3CCCC3)c(=O)c2s1 Show InChI InChI=1S/C23H18ClN5OS/c24-15-5-3-14(4-6-15)20-12-19-21(31-20)22(30)29(13-25-19)16-7-8-17-18(11-16)27-23(26-17)28-9-1-2-10-28/h3-8,11-13H,1-2,9-10H2,(H,26,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615812
(CHEMBL5289730) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615797
(CHEMBL5282861) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615775
(CHEMBL5279860) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PDB
UniChem
| PDB
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615791
(CHEMBL5275536) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422912
(CHEMBL214476)Show SMILES CNc1nc2ccc(cc2[nH]1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H14ClN5OS/c1-22-20-24-14-7-6-13(8-15(14)25-20)26-10-23-16-9-17(28-18(16)19(26)27)11-2-4-12(21)5-3-11/h2-10H,1H3,(H2,22,24,25) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615779
(CHEMBL5285125) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615795
(CHEMBL5279371) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615800
(CHEMBL5266142) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615813
(CHEMBL5269778) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615802
(CHEMBL5269001) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615792
(CHEMBL5279720) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422892
(CHEMBL214908)Show SMILES CN(C)c1ccc(cc1)-n1c(C)nc2cc(ccc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H22ClN5OS/c1-17-31-23-14-22(12-13-25(23)34(17)21-10-8-20(9-11-21)32(2)3)33-16-30-24-15-26(36-27(24)28(33)35)18-4-6-19(29)7-5-18/h4-16H,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422911
(CHEMBL387217)Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc([nH]c4c3)N3CCCCC3)c(=O)c2s1 Show InChI InChI=1S/C24H20ClN5OS/c25-16-6-4-15(5-7-16)21-13-20-22(32-21)23(31)30(14-26-20)17-8-9-18-19(12-17)28-24(27-18)29-10-2-1-3-11-29/h4-9,12-14H,1-3,10-11H2,(H,27,28) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615824
(CHEMBL5278680) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615825
(CHEMBL5266618) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422886
(CHEMBL385410)Show SMILES CCCn1c(nc2cc(ccc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1)N(C)C Show InChI InChI=1S/C24H22ClN5OS/c1-4-11-29-20-10-9-17(12-18(20)27-24(29)28(2)3)30-14-26-19-13-21(32-22(19)23(30)31)15-5-7-16(25)8-6-15/h5-10,12-14H,4,11H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422918
(CHEMBL384132)Show SMILES CN(CCN1CCCC1)c1nc2ccc(cc2[nH]1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H25ClN6OS/c1-31(12-13-32-10-2-3-11-32)26-29-20-9-8-19(14-21(20)30-26)33-16-28-22-15-23(35-24(22)25(33)34)17-4-6-18(27)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422900
(CHEMBL215008)Show SMILES COc1ccc(cc1)-n1c(C)nc2cc(ccc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H19ClN4O2S/c1-16-30-22-13-20(9-12-24(22)32(16)19-7-10-21(34-2)11-8-19)31-15-29-23-14-25(35-26(23)27(31)33)17-3-5-18(28)6-4-17/h3-15H,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422905
(CHEMBL215256)Show SMILES COCCCn1c(C)nc2cc(ccc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H21ClN4O2S/c1-15-27-19-12-18(8-9-21(19)28(15)10-3-11-31-2)29-14-26-20-13-22(32-23(20)24(29)30)16-4-6-17(25)7-5-16/h4-9,12-14H,3,10-11H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422909
(CHEMBL384233)Show SMILES CCCn1c(nc2ccc(cc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1)N(C)C Show InChI InChI=1S/C24H22ClN5OS/c1-4-11-29-20-12-17(9-10-18(20)27-24(29)28(2)3)30-14-26-19-13-21(32-22(19)23(30)31)15-5-7-16(25)8-6-15/h5-10,12-14H,4,11H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615796
(CHEMBL5267588) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615778
(CHEMBL5283521) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50576323
(CHEMBL4866146)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2n(ncc2c1)-c1cccc(F)c1 |r,wU:7.10,wD:4.3,(17.72,-11.38,;16.96,-12.72,;18.5,-12.71,;16.96,-14.26,;15.63,-11.95,;15.63,-10.41,;14.29,-9.63,;12.97,-10.41,;12.97,-11.95,;14.29,-12.71,;11.64,-9.64,;10.3,-10.41,;8.97,-9.65,;10.31,-11.95,;11.65,-12.72,;11.65,-14.27,;10.31,-15.04,;10,-16.55,;8.46,-16.72,;7.83,-15.31,;8.97,-14.27,;8.98,-12.72,;11.03,-17.69,;10.55,-19.15,;11.59,-20.29,;13.09,-19.97,;13.56,-18.5,;15.07,-18.17,;12.53,-17.36,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HPGDS assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422888
(CHEMBL214824)Show SMILES Cn1c(nc2ccc(cc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1)N1CCCC1 Show InChI InChI=1S/C24H20ClN5OS/c1-28-20-12-17(8-9-18(20)27-24(28)29-10-2-3-11-29)30-14-26-19-13-21(32-22(19)23(30)31)15-4-6-16(25)7-5-15/h4-9,12-14H,2-3,10-11H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422908
(CHEMBL384346)Show SMILES Cc1nc2cc(ccc2n1CCN1CCOCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H24ClN5O2S/c1-17-29-21-14-20(6-7-23(21)31(17)9-8-30-10-12-34-13-11-30)32-16-28-22-15-24(35-25(22)26(32)33)18-2-4-19(27)5-3-18/h2-7,14-16H,8-13H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422901
(CHEMBL384988)Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(NCCN5CCCC5)[nH]c4c3)c(=O)c2s1 Show InChI InChI=1S/C25H23ClN6OS/c26-17-5-3-16(4-6-17)22-14-21-23(34-22)24(33)32(15-28-21)18-7-8-19-20(13-18)30-25(29-19)27-9-12-31-10-1-2-11-31/h3-8,13-15H,1-2,9-12H2,(H2,27,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422913
(CHEMBL384806)Show SMILES CN(C)c1nc2cc(ccc2n1C)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H18ClN5OS/c1-26(2)22-25-16-10-15(8-9-18(16)27(22)3)28-12-24-17-11-19(30-20(17)21(28)29)13-4-6-14(23)7-5-13/h4-12H,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422894
(CHEMBL215234)Show SMILES Cc1nc2cc(ccc2n1C1CCCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H23ClN4OS/c1-16-29-21-13-20(11-12-23(21)31(16)19-5-3-2-4-6-19)30-15-28-22-14-24(33-25(22)26(30)32)17-7-9-18(27)10-8-17/h7-15,19H,2-6H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615798
(CHEMBL5273656) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615782
(CHEMBL5282228) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615810
(CHEMBL5277213) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615799
(CHEMBL5268479) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422915
(CHEMBL215298)Show SMILES CC(C)Oc1ccc(cc1)-n1c(C)nc2cc(ccc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H23ClN4O2S/c1-17(2)36-23-11-8-21(9-12-23)34-18(3)32-24-14-22(10-13-26(24)34)33-16-31-25-15-27(37-28(25)29(33)35)19-4-6-20(30)7-5-19/h4-17H,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50422902
(CHEMBL214512)Show SMILES CC(C)Nc1nc2ccc(cc2[nH]1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H18ClN5OS/c1-12(2)25-22-26-16-8-7-15(9-17(16)27-22)28-11-24-18-10-19(30-20(18)21(28)29)13-3-5-14(23)6-4-13/h3-12H,1-2H3,(H2,25,26,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass... |
Bioorg Med Chem Lett 16: 4994-5000 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.054
BindingDB Entry DOI: 10.7270/Q2833T97 |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50576316
(CHEMBL4870703)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1F |r,wU:7.10,wD:4.3,(2.16,-11.57,;2.98,-12.88,;3.7,-11.51,;1.68,-13.7,;4.35,-13.61,;4.4,-15.15,;5.77,-15.87,;7.07,-15.05,;7.01,-13.51,;5.65,-12.79,;8.44,-15.77,;9.74,-14.95,;9.68,-13.41,;11.1,-15.66,;11.16,-17.2,;12.51,-17.92,;13.81,-17.1,;15.29,-17.52,;16.15,-16.25,;15.2,-15.04,;13.76,-15.57,;12.4,-14.84,;17.68,-16.19,;18.5,-17.5,;20.03,-17.44,;20.76,-16.08,;19.93,-14.77,;18.39,-14.83,;17.57,-13.53,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HPGDS assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047 |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50526494
(CHEMBL4439454)Show SMILES COc1ccc2cc(cnc2c1)C(=O)NC1CC2(C1)CC(C2)C(C)(C)O |(1.86,-17.99,;3.19,-18.77,;4.53,-18,;4.53,-16.45,;5.86,-15.68,;7.2,-16.44,;8.52,-15.67,;9.86,-16.43,;9.87,-17.98,;8.53,-18.76,;7.2,-17.99,;5.86,-18.77,;11.19,-15.65,;11.17,-14.11,;12.53,-16.41,;13.86,-15.63,;15.34,-16.02,;15.74,-14.52,;14.24,-14.14,;17.22,-14.92,;17.62,-13.43,;16.13,-13.03,;18.95,-12.66,;18.17,-11.32,;19.72,-11.32,;20.29,-13.43,)| Show InChI InChI=1S/C21H26N2O3/c1-20(2,25)15-8-21(9-15)10-16(11-21)23-19(24)14-6-13-4-5-17(26-3)7-18(13)22-12-14/h4-7,12,15-16,25H,8-11H2,1-3H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R... |
Bioorg Med Chem 27: 1456-1478 (2019)
Article DOI: 10.1016/j.bmc.2019.02.017
BindingDB Entry DOI: 10.7270/Q2QV3R00 |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615808
(CHEMBL5289474) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50576314
(CHEMBL4864805)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1 |r,wU:7.10,wD:4.3,(2.48,-1.86,;3.3,-3.17,;4.02,-1.8,;2,-3.99,;4.67,-3.9,;4.72,-5.44,;6.09,-6.16,;7.39,-5.34,;7.33,-3.8,;5.97,-3.08,;8.76,-6.06,;10.06,-5.24,;10,-3.7,;11.42,-5.96,;11.48,-7.5,;12.83,-8.21,;14.13,-7.39,;15.61,-7.81,;16.46,-6.54,;15.52,-5.33,;14.08,-5.86,;12.72,-5.13,;18,-6.48,;18.81,-7.79,;20.35,-7.73,;21.08,-6.37,;20.25,-5.06,;18.71,-5.12,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HPGDS assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615780
(CHEMBL5285108) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PDB
UniChem
| PDB
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50526495
(CHEMBL4452633)Show InChI InChI=1S/C19H20N4O2S/c1-25-16-3-2-13-10-14(12-21-17(13)11-16)18(24)22-15-4-7-23(8-5-15)19-20-6-9-26-19/h2-3,6,9-12,15H,4-5,7-8H2,1H3,(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R... |
Bioorg Med Chem 27: 1456-1478 (2019)
Article DOI: 10.1016/j.bmc.2019.02.017
BindingDB Entry DOI: 10.7270/Q2QV3R00 |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50526485
(CHEMBL4473072)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(OC(F)F)ccc2c1 |r,wU:7.10,wD:4.3,(19.66,-11.66,;20.44,-13,;21.21,-11.66,;21.78,-13.76,;19.12,-13.78,;17.78,-13.01,;16.44,-13.79,;16.46,-15.32,;17.8,-16.09,;19.12,-15.32,;15.13,-16.1,;13.79,-15.34,;13.78,-13.8,;12.47,-16.12,;12.48,-17.67,;11.14,-18.44,;9.81,-17.68,;8.47,-18.45,;7.14,-17.68,;5.81,-18.45,;4.47,-17.68,;3.14,-18.45,;4.48,-16.14,;7.14,-16.14,;8.47,-15.37,;9.81,-16.13,;11.13,-15.36,)| Show InChI InChI=1S/C20H24F2N2O3/c1-20(2,26)14-4-6-15(7-5-14)24-18(25)13-9-12-3-8-16(27-19(21)22)10-17(12)23-11-13/h3,8-11,14-15,19,26H,4-7H2,1-2H3,(H,24,25)/t14-,15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R... |
Bioorg Med Chem 27: 1456-1478 (2019)
Article DOI: 10.1016/j.bmc.2019.02.017
BindingDB Entry DOI: 10.7270/Q2QV3R00 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50526485
(CHEMBL4473072)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(OC(F)F)ccc2c1 |r,wU:7.10,wD:4.3,(19.66,-11.66,;20.44,-13,;21.21,-11.66,;21.78,-13.76,;19.12,-13.78,;17.78,-13.01,;16.44,-13.79,;16.46,-15.32,;17.8,-16.09,;19.12,-15.32,;15.13,-16.1,;13.79,-15.34,;13.78,-13.8,;12.47,-16.12,;12.48,-17.67,;11.14,-18.44,;9.81,-17.68,;8.47,-18.45,;7.14,-17.68,;5.81,-18.45,;4.47,-17.68,;3.14,-18.45,;4.48,-16.14,;7.14,-16.14,;8.47,-15.37,;9.81,-16.13,;11.13,-15.36,)| Show InChI InChI=1S/C20H24F2N2O3/c1-20(2,26)14-4-6-15(7-5-14)24-18(25)13-9-12-3-8-16(27-19(21)22)10-17(12)23-11-13/h3,8-11,14-15,19,26H,4-7H2,1-2H3,(H,24,25)/t14-,15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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