Found 22 hits with Last Name = 'fahmy' and Initial = 'h' 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 |
|---|
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50074501
(Butyl-ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-ph...)Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(4.9,1.82,;3.57,2.56,;2.24,1.79,;.91,2.55,;-.44,1.78,;-1.76,2.55,;-3.1,1.78,;-.42,.25,;-1.75,-.52,;-1.75,-2.06,;-3.08,-2.83,;-.42,-2.83,;.91,-2.06,;2.38,-2.54,;3.31,-1.29,;4.85,-1.29,;2.38,-.03,;2.86,1.43,;.91,-.52,;2.86,-4.02,;4.37,-4.33,;5.39,-3.17,;4.85,-5.78,;3.82,-6.93,;4.31,-8.4,;2.32,-6.61,;1.84,-5.14,;.33,-4.82,)| Show InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
South Dakota State University
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr0sauvagine from human CRF1 receptor expressed in HEK293 cell membrane after 120 mins by gamma scintillation counting analysi... |
Eur J Med Chem 78: 1-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.040
BindingDB Entry DOI: 10.7270/Q2VD710K |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50074501
(Butyl-ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-ph...)Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(4.9,1.82,;3.57,2.56,;2.24,1.79,;.91,2.55,;-.44,1.78,;-1.76,2.55,;-3.1,1.78,;-.42,.25,;-1.75,-.52,;-1.75,-2.06,;-3.08,-2.83,;-.42,-2.83,;.91,-2.06,;2.38,-2.54,;3.31,-1.29,;4.85,-1.29,;2.38,-.03,;2.86,1.43,;.91,-.52,;2.86,-4.02,;4.37,-4.33,;5.39,-3.17,;4.85,-5.78,;3.82,-6.93,;4.31,-8.4,;2.32,-6.61,;1.84,-5.14,;.33,-4.82,)| Show InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
South Dakota State University
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Tyr0-sauvagine from human CRFR1 expressed in HEK293 cell membrane homogenates after 120 mins by gamma counting method |
Eur J Med Chem 138: 900-908 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.016
BindingDB Entry DOI: 10.7270/Q2R78HRZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50276840
(CHEMBL4160471)Show SMILES CCCCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=N)sc12 |(33.93,-2.38,;33.94,-3.92,;32.61,-4.69,;32.61,-6.23,;31.28,-7.01,;29.95,-6.24,;29.94,-4.7,;31.29,-8.55,;29.96,-9.32,;29.95,-10.86,;28.62,-11.63,;31.29,-11.63,;32.63,-10.86,;34.11,-11.33,;34.1,-12.87,;32.75,-13.63,;31.43,-12.85,;32.74,-15.17,;34.07,-15.95,;34.06,-17.49,;35.41,-15.18,;35.42,-13.64,;36.76,-12.88,;35.01,-10.07,;36.55,-10.06,;34.09,-8.82,;32.62,-9.31,)| Show InChI InChI=1S/C21H29N5S/c1-7-9-10-25(8-2)19-18-20(24-16(6)23-19)26(21(22)27-18)17-14(4)11-13(3)12-15(17)5/h11-12,22H,7-10H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
South Dakota State University
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Tyr0-sauvagine from human CRFR1 expressed in HEK293 cell membrane homogenates after 120 mins by gamma counting method |
Eur J Med Chem 138: 900-908 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.016
BindingDB Entry DOI: 10.7270/Q2R78HRZ |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50003912
(CHEMBL3235706)Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)c1SCC Show InChI InChI=1S/C23H34N4S/c1-7-11-27(14-19-9-10-19)23-21(28-8-2)22(24-18(6)25-23)26-20-16(4)12-15(3)13-17(20)5/h12-13,19H,7-11,14H2,1-6H3,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
South Dakota State University
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr0sauvagine from human CRF1 receptor expressed in HEK293 cell membrane after 120 mins by gamma scintillation counting analysi... |
Eur J Med Chem 78: 1-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.040
BindingDB Entry DOI: 10.7270/Q2VD710K |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM17638
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Alexandria University
Curated by ChEMBL
| Assay Description
Inhibition of human platelets COX1 after 2 mins |
Eur J Med Chem 45: 6027-38 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.001
BindingDB Entry DOI: 10.7270/Q25Q4WCM |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50003909
(CHEMBL3235700)Show InChI InChI=1S/C21H32N4O2S/c1-14-12-15(2)18(16(3)13-14)24-20-19(28-7)21(23-17(4)22-20)25(8-10-26-5)9-11-27-6/h12-13H,8-11H2,1-7H3,(H,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
South Dakota State University
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr0sauvagine from human CRF1 receptor expressed in HEK293 cell membrane after 120 mins by gamma scintillation counting analysi... |
Eur J Med Chem 78: 1-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.040
BindingDB Entry DOI: 10.7270/Q2VD710K |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | <300 | n/a | n/a | n/a | n/a | n/a | n/a |
Alexandria University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COX2 after 45 mins |
Eur J Med Chem 45: 6027-38 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.001
BindingDB Entry DOI: 10.7270/Q25Q4WCM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50231512
(CHEMBL4077901)Show SMILES CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)NNC(=S)NC(c2ccccc2)c2ccccc2)C1c1cccc(c1)[N+]([O-])=O |c:5| Show InChI InChI=1S/C31H32N6O6S/c1-3-43-29(39)26-20(2)32-31(40)36(28(26)23-15-10-16-24(19-23)37(41)42)18-17-25(38)34-35-30(44)33-27(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-16,19,27-28H,3,17-18H2,1-2H3,(H,32,40)(H,34,38)(H2,33,35,44) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
South Dakota State University
Curated by ChEMBL
| Assay Description
Inhibition of GFP-fused Cav3.2-alpha1 (unknown origin) expressed in human tsA-201 cells at holding potential of -110 mV by whole cell patch clamp met... |
Bioorg Med Chem 25: 1926-1938 (2017)
Article DOI: 10.1016/j.bmc.2017.02.015
BindingDB Entry DOI: 10.7270/Q23F4RW9 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50332956
((2RS,4R)-2-(1-phenyl-3-p-tolyl-1H-pyrazol-4-yl)thi...)Show SMILES Cc1ccc(cc1)-c1nn(cc1C1N[C@@H](CS1)C(N)=O)-c1ccccc1 |r| Show InChI InChI=1S/C20H20N4OS/c1-13-7-9-14(10-8-13)18-16(20-22-17(12-26-20)19(21)25)11-24(23-18)15-5-3-2-4-6-15/h2-11,17,20,22H,12H2,1H3,(H2,21,25)/t17-,20?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Alexandria University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COX2 after 45 mins |
Eur J Med Chem 45: 6027-38 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.001
BindingDB Entry DOI: 10.7270/Q25Q4WCM |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50276841
(CHEMBL4161963)Show SMILES CCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)\c(=N/N)sc12 |(3.83,-3.22,;3.84,-4.76,;5.17,-5.52,;6.5,-4.75,;6.5,-3.21,;5.18,-7.06,;3.85,-7.83,;3.85,-9.38,;2.51,-10.15,;5.18,-10.15,;6.52,-9.38,;8,-9.85,;7.99,-11.39,;6.64,-12.14,;5.32,-11.36,;6.63,-13.68,;7.96,-14.46,;7.95,-16,;9.3,-13.69,;9.31,-12.16,;10.65,-11.39,;8.9,-8.59,;10.44,-8.58,;11.22,-9.91,;7.98,-7.34,;6.51,-7.83,)| Show InChI InChI=1S/C19H26N6S/c1-7-24(8-2)17-16-18(22-14(6)21-17)25(19(23-20)26-16)15-12(4)9-11(3)10-13(15)5/h9-10H,7-8,20H2,1-6H3/b23-19+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 447 | n/a | n/a | n/a | n/a | n/a | n/a |
South Dakota State University
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Tyr0-sauvagine from human CRFR1 expressed in HEK293 cell membrane homogenates after 120 mins by gamma counting method |
Eur J Med Chem 138: 900-908 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.016
BindingDB Entry DOI: 10.7270/Q2R78HRZ |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50332955
((2RS,4R)-2-(1,3-diphenyl-1H-pyrazol-4-yl)thiazolid...)Show SMILES NC(=O)[C@@H]1CSC(N1)c1cn(nc1-c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C19H18N4OS/c20-18(24)16-12-25-19(21-16)15-11-23(14-9-5-2-6-10-14)22-17(15)13-7-3-1-4-8-13/h1-11,16,19,21H,12H2,(H2,20,24)/t16-,19?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Alexandria University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COX2 after 45 mins |
Eur J Med Chem 45: 6027-38 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.001
BindingDB Entry DOI: 10.7270/Q25Q4WCM |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50003910
(CHEMBL3235703)Show InChI InChI=1S/C22H34N4S/c1-8-11-26(12-9-2)22-20(27-10-3)21(23-18(7)24-22)25-19-16(5)13-15(4)14-17(19)6/h13-14H,8-12H2,1-7H3,(H,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 537 | n/a | n/a | n/a | n/a | n/a | n/a |
South Dakota State University
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr0sauvagine from human CRF1 receptor expressed in HEK293 cell membrane after 120 mins by gamma scintillation counting analysi... |
Eur J Med Chem 78: 1-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.040
BindingDB Entry DOI: 10.7270/Q2VD710K |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50003911
(CHEMBL3235705)Show SMILES CCSc1c(Nc2c(C)cc(C)cc2C)nc(C)nc1N(CCOC)CCOC Show InChI InChI=1S/C22H34N4O2S/c1-8-29-20-21(25-19-16(3)13-15(2)14-17(19)4)23-18(5)24-22(20)26(9-11-27-6)10-12-28-7/h13-14H,8-12H2,1-7H3,(H,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 589 | n/a | n/a | n/a | n/a | n/a | n/a |
South Dakota State University
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr0sauvagine from human CRF1 receptor expressed in HEK293 cell membrane after 120 mins by gamma scintillation counting analysi... |
Eur J Med Chem 78: 1-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.03.040
BindingDB Entry DOI: 10.7270/Q2VD710K |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50276839
(CHEMBL4170184)Show SMILES CCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=N)sc12 |(16.61,-2.72,;16.61,-4.26,;17.95,-5.02,;19.28,-4.25,;19.28,-2.71,;17.95,-6.56,;16.63,-7.33,;16.62,-8.88,;15.29,-9.65,;17.96,-9.65,;19.3,-8.88,;20.78,-9.35,;20.77,-10.89,;19.42,-11.65,;18.1,-10.86,;19.41,-13.18,;20.74,-13.96,;20.73,-15.5,;22.08,-13.2,;22.09,-11.66,;23.42,-10.9,;21.68,-8.09,;23.22,-8.08,;20.76,-6.84,;19.29,-7.33,)| Show InChI InChI=1S/C19H25N5S/c1-7-23(8-2)17-16-18(22-14(6)21-17)24(19(20)25-16)15-12(4)9-11(3)10-13(15)5/h9-10,20H,7-8H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 891 | n/a | n/a | n/a | n/a | n/a | n/a |
South Dakota State University
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Tyr0-sauvagine from human CRFR1 expressed in HEK293 cell membrane homogenates after 120 mins by gamma counting method |
Eur J Med Chem 138: 900-908 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.016
BindingDB Entry DOI: 10.7270/Q2R78HRZ |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50332954
((2RS,4R)-2-(1-phenyl-3-p-tolyl-1H-pyrazol-4-yl)thi...)Show SMILES Cc1ccc(cc1)-c1nn(cc1C1N[C@@H](CS1)C(O)=O)-c1ccccc1 |r| Show InChI InChI=1S/C20H19N3O2S/c1-13-7-9-14(10-8-13)18-16(19-21-17(12-26-19)20(24)25)11-23(22-18)15-5-3-2-4-6-15/h2-11,17,19,21H,12H2,1H3,(H,24,25)/t17-,19?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Alexandria University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COX2 after 45 mins |
Eur J Med Chem 45: 6027-38 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.001
BindingDB Entry DOI: 10.7270/Q25Q4WCM |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM17638
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 2.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Alexandria University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COX2 after 45 mins |
Eur J Med Chem 45: 6027-38 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.001
BindingDB Entry DOI: 10.7270/Q25Q4WCM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50231514
(CHEMBL4081641)Show SMILES CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)N\N=C\c2ccccc2)C1c1cccc(c1)[N+]([O-])=O |c:5| Show InChI InChI=1S/C24H25N5O6/c1-3-35-23(31)21-16(2)26-24(32)28(22(21)18-10-7-11-19(14-18)29(33)34)13-12-20(30)27-25-15-17-8-5-4-6-9-17/h4-11,14-15,22H,3,12-13H2,1-2H3,(H,26,32)(H,27,30)/b25-15+ | PDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
South Dakota State University
Curated by ChEMBL
| Assay Description
Inhibition of GFP-fused Cav3.2-alpha1 (unknown origin) expressed in human tsA-201 cells at holding potential of -110 mV by whole cell patch clamp met... |
Bioorg Med Chem 25: 1926-1938 (2017)
Article DOI: 10.1016/j.bmc.2017.02.015
BindingDB Entry DOI: 10.7270/Q23F4RW9 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50332954
((2RS,4R)-2-(1-phenyl-3-p-tolyl-1H-pyrazol-4-yl)thi...)Show SMILES Cc1ccc(cc1)-c1nn(cc1C1N[C@@H](CS1)C(O)=O)-c1ccccc1 |r| Show InChI InChI=1S/C20H19N3O2S/c1-13-7-9-14(10-8-13)18-16(19-21-17(12-26-19)20(24)25)11-23(22-18)15-5-3-2-4-6-15/h2-11,17,19,21H,12H2,1H3,(H,24,25)/t17-,19?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Alexandria University
Curated by ChEMBL
| Assay Description
Inhibition of human platelets COX1 after 2 mins |
Eur J Med Chem 45: 6027-38 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.001
BindingDB Entry DOI: 10.7270/Q25Q4WCM |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50332955
((2RS,4R)-2-(1,3-diphenyl-1H-pyrazol-4-yl)thiazolid...)Show SMILES NC(=O)[C@@H]1CSC(N1)c1cn(nc1-c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C19H18N4OS/c20-18(24)16-12-25-19(21-16)15-11-23(14-9-5-2-6-10-14)22-17(15)13-7-3-1-4-8-13/h1-11,16,19,21H,12H2,(H2,20,24)/t16-,19?/m0/s1 | PDB
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| CHEMBL
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UniChem
Similars
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PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Alexandria University
Curated by ChEMBL
| Assay Description
Inhibition of human platelets COX1 after 2 mins |
Eur J Med Chem 45: 6027-38 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.001
BindingDB Entry DOI: 10.7270/Q25Q4WCM |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
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| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Alexandria University
Curated by ChEMBL
| Assay Description
Inhibition of human platelets COX1 after 2 mins |
Eur J Med Chem 45: 6027-38 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.001
BindingDB Entry DOI: 10.7270/Q25Q4WCM |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50332956
((2RS,4R)-2-(1-phenyl-3-p-tolyl-1H-pyrazol-4-yl)thi...)Show SMILES Cc1ccc(cc1)-c1nn(cc1C1N[C@@H](CS1)C(N)=O)-c1ccccc1 |r| Show InChI InChI=1S/C20H20N4OS/c1-13-7-9-14(10-8-13)18-16(20-22-17(12-26-20)19(21)25)11-24(23-18)15-5-3-2-4-6-15/h2-11,17,20,22H,12H2,1H3,(H2,21,25)/t17-,20?/m0/s1 | PDB
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| CHEMBL
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Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Alexandria University
Curated by ChEMBL
| Assay Description
Inhibition of human platelets COX1 after 2 mins |
Eur J Med Chem 45: 6027-38 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.001
BindingDB Entry DOI: 10.7270/Q25Q4WCM |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50276840
(CHEMBL4160471)Show SMILES CCCCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=N)sc12 |(33.93,-2.38,;33.94,-3.92,;32.61,-4.69,;32.61,-6.23,;31.28,-7.01,;29.95,-6.24,;29.94,-4.7,;31.29,-8.55,;29.96,-9.32,;29.95,-10.86,;28.62,-11.63,;31.29,-11.63,;32.63,-10.86,;34.11,-11.33,;34.1,-12.87,;32.75,-13.63,;31.43,-12.85,;32.74,-15.17,;34.07,-15.95,;34.06,-17.49,;35.41,-15.18,;35.42,-13.64,;36.76,-12.88,;35.01,-10.07,;36.55,-10.06,;34.09,-8.82,;32.62,-9.31,)| Show InChI InChI=1S/C21H29N5S/c1-7-9-10-25(8-2)19-18-20(24-16(6)23-19)26(21(22)27-18)17-14(4)11-13(3)12-15(17)5/h11-12,22H,7-10H2,1-6H3 | PDB
MMDB
Reactome pathway
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UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
South Dakota State University
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRFR1 expressed in HEK293 cells assessed as inhibition of sauvagine-induced cAMP accumulation by measuring sauvagine EC5... |
Eur J Med Chem 138: 900-908 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.016
BindingDB Entry DOI: 10.7270/Q2R78HRZ |
More data for this
Ligand-Target Pair | |
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