Found 8 hits Enz. Inhib. hit(s) with all data for entry = 2196 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 |
|---|
Major prion protein
(Homo sapiens (Human)) | BDBM357271
(2-(((1s,4s)-4-((5- (cyanomethylthio)-3,4- diphenyl...)Show SMILES OC(=O)COC[C@H]1CC[C@@H](Cn2nc(c(c2SCC#N)-c2ccccc2)-c2ccccc2)CC1 |r,wU:9.9,6.5,(9.46,-2.31,;8.13,-1.54,;8.13,0,;6.79,-2.31,;5.46,-1.54,;4.13,-2.31,;2.79,-1.54,;1.46,-2.31,;.13,-1.54,;.13,0,;-1.21,.77,;-2.54,0,;-2.77,-1.52,;-4.29,-1.78,;-5,-.41,;-3.92,.69,;-4.32,2.18,;-3.23,3.26,;-3.63,4.75,;-4.03,6.24,;-6.49,-.01,;-6.89,1.48,;-8.37,1.87,;-9.46,.79,;-9.06,-.7,;-7.58,-1.1,;-4.69,-3.26,;-6.17,-3.66,;-6.57,-5.15,;-5.48,-6.24,;-4,-5.84,;-3.6,-4.35,;1.46,.77,;2.79,0,)| Show InChI InChI=1S/C27H29N3O3S/c28-15-16-34-27-25(22-7-3-1-4-8-22)26(23-9-5-2-6-10-23)29-30(27)17-20-11-13-21(14-12-20)18-33-19-24(31)32/h1-10,20-21H,11-14,16-19H2,(H,31,32)/t20-,21+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
US Patent
| Assay Description
Blood collected from healthy human volunteers in aqueous trisodium citrate solution was centrifuged at 150 g for 15 min and the upper layer was recov... |
US Patent US10214518 (2019)
BindingDB Entry DOI: 10.7270/Q2T155XG |
More data for this
Ligand-Target Pair | |
Major prion protein
(Homo sapiens (Human)) | BDBM357270
(2-(((1s,4s)-4-((5- (methylthio)-4-(5- methylthioph...)Show SMILES CSc1c(-c2ccc(C)s2)c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1 |r,wU:14.15,17.19,(-3.06,4.75,;-4.15,3.66,;-3.75,2.18,;-4.83,1.08,;-6.32,1.48,;-7.41,.39,;-8.78,1.09,;-8.54,2.61,;-9.63,3.7,;-7.02,2.85,;-4.12,-.29,;-2.6,-.04,;-2.37,1.49,;-1.04,2.26,;.29,1.49,;.29,-.05,;1.63,-.82,;2.96,-.05,;4.29,-.82,;5.63,-.05,;6.96,-.82,;8.29,-.05,;9.63,-.82,;8.29,1.49,;2.96,1.49,;1.63,2.26,;-4.52,-1.78,;-6.01,-2.18,;-6.41,-3.66,;-5.32,-4.75,;-3.83,-4.35,;-3.43,-2.87,)| Show InChI InChI=1S/C25H30N2O3S2/c1-17-8-13-21(32-17)23-24(20-6-4-3-5-7-20)26-27(25(23)31-2)14-18-9-11-19(12-10-18)15-30-16-22(28)29/h3-8,13,18-19H,9-12,14-16H2,1-2H3,(H,28,29)/t18-,19+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
US Patent
| Assay Description
Blood collected from healthy human volunteers in aqueous trisodium citrate solution was centrifuged at 150 g for 15 min and the upper layer was recov... |
US Patent US10214518 (2019)
BindingDB Entry DOI: 10.7270/Q2T155XG |
More data for this
Ligand-Target Pair | |
Major prion protein
(Homo sapiens (Human)) | BDBM357273
(2-(((1s,4s)-4-((5-(2- hydroxyethylthio)-3,4- diphe...)Show SMILES OCCSc1c(c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1)-c1ccccc1 |r,wU:10.10,13.14,(-2.54,6.04,;-3.63,4.95,;-3.23,3.46,;-4.32,2.37,;-3.92,.89,;-5,-.21,;-4.29,-1.58,;-2.77,-1.32,;-2.54,.2,;-1.21,.97,;.13,.2,;.13,-1.34,;1.46,-2.11,;2.79,-1.34,;4.13,-2.11,;5.46,-1.34,;6.79,-2.11,;8.13,-1.34,;9.46,-2.11,;8.13,.2,;2.79,.2,;1.46,.97,;-4.69,-3.06,;-6.17,-3.46,;-6.57,-4.95,;-5.48,-6.04,;-4,-5.64,;-3.6,-4.15,;-6.49,.19,;-6.89,1.67,;-8.37,2.07,;-9.46,.98,;-9.06,-.5,;-7.58,-.9,)| Show InChI InChI=1S/C27H32N2O4S/c30-15-16-34-27-25(22-7-3-1-4-8-22)26(23-9-5-2-6-10-23)28-29(27)17-20-11-13-21(14-12-20)18-33-19-24(31)32/h1-10,20-21,30H,11-19H2,(H,31,32)/t20-,21+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
US Patent
| Assay Description
Blood collected from healthy human volunteers in aqueous trisodium citrate solution was centrifuged at 150 g for 15 min and the upper layer was recov... |
US Patent US10214518 (2019)
BindingDB Entry DOI: 10.7270/Q2T155XG |
More data for this
Ligand-Target Pair | |
Major prion protein
(Homo sapiens (Human)) | BDBM357274
(2-(((1s,4s)-4-((4-(5- fluoropyridin-3-yl)-5- (meth...)Show SMILES CSc1c(c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1)-c1cncc(F)c1 |r,wU:8.8,11.12,(-2.88,4.75,;-3.97,3.66,;-3.57,2.18,;-4.65,1.08,;-3.94,-.29,;-2.42,-.04,;-2.2,1.49,;-.86,2.26,;.47,1.49,;.47,-.05,;1.8,-.82,;3.14,-.05,;4.47,-.82,;5.81,-.05,;7.14,-.82,;8.47,-.05,;9.81,-.82,;8.47,1.49,;3.14,1.49,;1.8,2.26,;-4.34,-1.78,;-5.83,-2.18,;-6.23,-3.66,;-5.14,-4.75,;-3.65,-4.35,;-3.25,-2.87,;-6.14,1.48,;-6.54,2.96,;-8.03,3.36,;-9.12,2.27,;-8.72,.79,;-9.81,-.3,;-7.23,.39,)| Show InChI InChI=1S/C25H28FN3O3S/c1-33-25-23(20-11-21(26)13-27-12-20)24(19-5-3-2-4-6-19)28-29(25)14-17-7-9-18(10-8-17)15-32-16-22(30)31/h2-6,11-13,17-18H,7-10,14-16H2,1H3,(H,30,31)/t17-,18+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
US Patent
| Assay Description
Blood collected from healthy human volunteers in aqueous trisodium citrate solution was centrifuged at 150 g for 15 min and the upper layer was recov... |
US Patent US10214518 (2019)
BindingDB Entry DOI: 10.7270/Q2T155XG |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM357271
(2-(((1s,4s)-4-((5- (cyanomethylthio)-3,4- diphenyl...)Show SMILES OC(=O)COC[C@H]1CC[C@@H](Cn2nc(c(c2SCC#N)-c2ccccc2)-c2ccccc2)CC1 |r,wU:9.9,6.5,(9.46,-2.31,;8.13,-1.54,;8.13,0,;6.79,-2.31,;5.46,-1.54,;4.13,-2.31,;2.79,-1.54,;1.46,-2.31,;.13,-1.54,;.13,0,;-1.21,.77,;-2.54,0,;-2.77,-1.52,;-4.29,-1.78,;-5,-.41,;-3.92,.69,;-4.32,2.18,;-3.23,3.26,;-3.63,4.75,;-4.03,6.24,;-6.49,-.01,;-6.89,1.48,;-8.37,1.87,;-9.46,.79,;-9.06,-.7,;-7.58,-1.1,;-4.69,-3.26,;-6.17,-3.66,;-6.57,-5.15,;-5.48,-6.24,;-4,-5.84,;-3.6,-4.35,;1.46,.77,;2.79,0,)| Show InChI InChI=1S/C27H29N3O3S/c28-15-16-34-27-25(22-7-3-1-4-8-22)26(23-9-5-2-6-10-23)29-30(27)17-20-11-13-21(14-12-20)18-33-19-24(31)32/h1-10,20-21H,11-14,16-19H2,(H,31,32)/t20-,21+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
US Patent
| Assay Description
The HTRF assay was carried out using a two-step protocol essentially according to the kit manufacturer's instructions, in 20 μL total volume... |
US Patent US10214518 (2019)
BindingDB Entry DOI: 10.7270/Q2T155XG |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM357270
(2-(((1s,4s)-4-((5- (methylthio)-4-(5- methylthioph...)Show SMILES CSc1c(-c2ccc(C)s2)c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1 |r,wU:14.15,17.19,(-3.06,4.75,;-4.15,3.66,;-3.75,2.18,;-4.83,1.08,;-6.32,1.48,;-7.41,.39,;-8.78,1.09,;-8.54,2.61,;-9.63,3.7,;-7.02,2.85,;-4.12,-.29,;-2.6,-.04,;-2.37,1.49,;-1.04,2.26,;.29,1.49,;.29,-.05,;1.63,-.82,;2.96,-.05,;4.29,-.82,;5.63,-.05,;6.96,-.82,;8.29,-.05,;9.63,-.82,;8.29,1.49,;2.96,1.49,;1.63,2.26,;-4.52,-1.78,;-6.01,-2.18,;-6.41,-3.66,;-5.32,-4.75,;-3.83,-4.35,;-3.43,-2.87,)| Show InChI InChI=1S/C25H30N2O3S2/c1-17-8-13-21(32-17)23-24(20-6-4-3-5-7-20)26-27(25(23)31-2)14-18-9-11-19(12-10-18)15-30-16-22(28)29/h3-8,13,18-19H,9-12,14-16H2,1-2H3,(H,28,29)/t18-,19+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
US Patent
| Assay Description
The HTRF assay was carried out using a two-step protocol essentially according to the kit manufacturer's instructions, in 20 μL total volume... |
US Patent US10214518 (2019)
BindingDB Entry DOI: 10.7270/Q2T155XG |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM357269
(2-(((1s,4s)-4-((5- (ethylthio)-4-(2-fluoro-3- meth...)Show SMILES CCSc1c(c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1)-c1cccc(OC)c1F |r,wU:9.9,12.13,(-3.23,5.5,;-2.83,4.01,;-3.92,2.92,;-3.52,1.43,;-4.6,.33,;-3.89,-1.03,;-2.37,-.78,;-2.14,.74,;-.81,1.51,;.52,.74,;.52,-.8,;1.86,-1.57,;3.19,-.8,;4.53,-1.57,;5.86,-.8,;7.19,-1.57,;8.53,-.8,;9.86,-1.57,;8.53,.74,;3.19,.74,;1.86,1.51,;-4.29,-2.52,;-5.78,-2.92,;-6.17,-4.41,;-5.09,-5.5,;-3.6,-5.1,;-3.2,-3.61,;-6.09,.73,;-7.18,-.36,;-8.66,.04,;-9.06,1.53,;-7.97,2.62,;-8.37,4.11,;-9.86,4.5,;-6.49,2.22,;-5.4,3.31,)| Show InChI InChI=1S/C28H33FN2O4S/c1-3-36-28-25(22-10-7-11-23(34-2)26(22)29)27(21-8-5-4-6-9-21)30-31(28)16-19-12-14-20(15-13-19)17-35-18-24(32)33/h4-11,19-20H,3,12-18H2,1-2H3,(H,32,33)/t19-,20+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
US Patent
| Assay Description
The HTRF assay was carried out using a two-step protocol essentially according to the kit manufacturer's instructions, in 20 μL total volume... |
US Patent US10214518 (2019)
BindingDB Entry DOI: 10.7270/Q2T155XG |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM357272
(2-(((1s,4s)-4-((5-(2- hydroxyethylthio)-4-(3- meth...)Show SMILES COc1cccc(c1)-c1c(SCCO)n(C[C@@H]2CC[C@H](COCC(O)=O)CC2)nc1-c1ccccc1 |r,wU:16.16,19.20,(-10.55,-.25,;-9.06,-.65,;-7.97,.44,;-8.37,1.93,;-7.28,3.02,;-5.8,2.62,;-5.4,1.13,;-6.49,.04,;-3.91,.73,;-2.83,1.83,;-3.23,3.32,;-2.14,4.41,;-.65,4.01,;.44,5.1,;-1.45,1.14,;-.12,1.91,;1.21,1.14,;1.21,-.4,;2.55,-1.17,;3.88,-.4,;5.22,-1.17,;6.55,-.4,;7.88,-1.17,;9.22,-.4,;10.55,-1.17,;9.22,1.14,;3.88,1.14,;2.55,1.91,;-1.68,-.38,;-3.2,-.63,;-3.6,-2.12,;-5.09,-2.52,;-5.48,-4.01,;-4.4,-5.1,;-2.91,-4.7,;-2.51,-3.21,)| Show InChI InChI=1S/C28H34N2O5S/c1-34-24-9-5-8-23(16-24)26-27(22-6-3-2-4-7-22)29-30(28(26)36-15-14-31)17-20-10-12-21(13-11-20)18-35-19-25(32)33/h2-9,16,20-21,31H,10-15,17-19H2,1H3,(H,32,33)/t20-,21+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
US Patent
| Assay Description
The HTRF assay was carried out using a two-step protocol essentially according to the kit manufacturer's instructions, in 20 μL total volume... |
US Patent US10214518 (2019)
BindingDB Entry DOI: 10.7270/Q2T155XG |
More data for this
Ligand-Target Pair | |
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