Found 16 hits Enz. Inhib. hit(s) with all data for entry = 5287 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 |
|---|
P2X purinoceptor 1
(RAT) | BDBM50000029
(4-Methyl-8-{4-methyl-3-[3-(3-{3-[2-methyl-5-(4,6,8...)Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/p-6 | Reactome pathway
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MCE
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocentre Niederursel
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)
Article DOI: 10.1007/s002100000312
BindingDB Entry DOI: 10.7270/Q2CF9NPR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(RAT) | BDBM85730
(CAS_5311313 | NF023 | NSC_5311313)Show SMILES [O-]S(=O)(=O)c1cc(c2c(Nc3cccc(NC(=O)Nc4cccc(Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c4)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C33H26N4O19S6/c38-33(36-19-5-1-3-17(11-19)34-25-7-9-27(59(45,46)47)23-13-21(57(39,40)41)15-29(31(23)25)61(51,52)53)37-20-6-2-4-18(12-20)35-26-8-10-28(60(48,49)50)24-14-22(58(42,43)44)16-30(32(24)26)62(54,55)56/h1-16,34-35H,(H2,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)/p-6 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocentre Niederursel
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)
Article DOI: 10.1007/s002100000312
BindingDB Entry DOI: 10.7270/Q2CF9NPR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(RAT) | BDBM85682
(CAS_5311315 | NF279 | NSC_5311315)Show SMILES [O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(NC(=O)c4ccc(NC(=O)Nc5ccc(cc5)C(=O)Nc5ccc(cc5)C(=O)Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C49H36N6O23S6/c56-45(50-29-9-1-27(2-10-29)47(58)54-37-17-19-39(81(67,68)69)35-21-33(79(61,62)63)23-41(43(35)37)83(73,74)75)25-5-13-31(14-6-25)52-49(60)53-32-15-7-26(8-16-32)46(57)51-30-11-3-28(4-12-30)48(59)55-38-18-20-40(82(70,71)72)36-22-34(80(64,65)66)24-42(44(36)38)84(76,77)78/h1-24H,(H,50,56)(H,51,57)(H,54,58)(H,55,59)(H2,52,53,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)/p-6 | Reactome pathway
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocentre Niederursel
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)
Article DOI: 10.1007/s002100000312
BindingDB Entry DOI: 10.7270/Q2CF9NPR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Homo sapiens (Human)) | BDBM85682
(CAS_5311315 | NF279 | NSC_5311315)Show SMILES [O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(NC(=O)c4ccc(NC(=O)Nc5ccc(cc5)C(=O)Nc5ccc(cc5)C(=O)Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C49H36N6O23S6/c56-45(50-29-9-1-27(2-10-29)47(58)54-37-17-19-39(81(67,68)69)35-21-33(79(61,62)63)23-41(43(35)37)83(73,74)75)25-5-13-31(14-6-25)52-49(60)53-32-15-7-26(8-16-32)46(57)51-30-11-3-28(4-12-30)48(59)55-38-18-20-40(82(70,71)72)36-22-34(80(64,65)66)24-42(44(36)38)84(76,77)78/h1-24H,(H,50,56)(H,51,57)(H,54,58)(H,55,59)(H2,52,53,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)/p-6 | Reactome pathway
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocentre Niederursel
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)
Article DOI: 10.1007/s002100000312
BindingDB Entry DOI: 10.7270/Q2CF9NPR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(RAT) | BDBM85682
(CAS_5311315 | NF279 | NSC_5311315)Show SMILES [O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(NC(=O)c4ccc(NC(=O)Nc5ccc(cc5)C(=O)Nc5ccc(cc5)C(=O)Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C49H36N6O23S6/c56-45(50-29-9-1-27(2-10-29)47(58)54-37-17-19-39(81(67,68)69)35-21-33(79(61,62)63)23-41(43(35)37)83(73,74)75)25-5-13-31(14-6-25)52-49(60)53-32-15-7-26(8-16-32)46(57)51-30-11-3-28(4-12-30)48(59)55-38-18-20-40(82(70,71)72)36-22-34(80(64,65)66)24-42(44(36)38)84(76,77)78/h1-24H,(H,50,56)(H,51,57)(H,54,58)(H,55,59)(H2,52,53,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)/p-6 | PDB
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocentre Niederursel
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)
Article DOI: 10.1007/s002100000312
BindingDB Entry DOI: 10.7270/Q2CF9NPR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(RAT) | BDBM85730
(CAS_5311313 | NF023 | NSC_5311313)Show SMILES [O-]S(=O)(=O)c1cc(c2c(Nc3cccc(NC(=O)Nc4cccc(Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c4)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C33H26N4O19S6/c38-33(36-19-5-1-3-17(11-19)34-25-7-9-27(59(45,46)47)23-13-21(57(39,40)41)15-29(31(23)25)61(51,52)53)37-20-6-2-4-18(12-20)35-26-8-10-28(60(48,49)50)24-14-22(58(42,43)44)16-30(32(24)26)62(54,55)56/h1-16,34-35H,(H2,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)/p-6 | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocentre Niederursel
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)
Article DOI: 10.1007/s002100000312
BindingDB Entry DOI: 10.7270/Q2CF9NPR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50000029
(4-Methyl-8-{4-methyl-3-[3-(3-{3-[2-methyl-5-(4,6,8...)Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/p-6 | KEGG
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| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocentre Niederursel
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)
Article DOI: 10.1007/s002100000312
BindingDB Entry DOI: 10.7270/Q2CF9NPR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM85682
(CAS_5311315 | NF279 | NSC_5311315)Show SMILES [O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(NC(=O)c4ccc(NC(=O)Nc5ccc(cc5)C(=O)Nc5ccc(cc5)C(=O)Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C49H36N6O23S6/c56-45(50-29-9-1-27(2-10-29)47(58)54-37-17-19-39(81(67,68)69)35-21-33(79(61,62)63)23-41(43(35)37)83(73,74)75)25-5-13-31(14-6-25)52-49(60)53-32-15-7-26(8-16-32)46(57)51-30-11-3-28(4-12-30)48(59)55-38-18-20-40(82(70,71)72)36-22-34(80(64,65)66)24-42(44(36)38)84(76,77)78/h1-24H,(H,50,56)(H,51,57)(H,54,58)(H,55,59)(H2,52,53,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)/p-6 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocentre Niederursel
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)
Article DOI: 10.1007/s002100000312
BindingDB Entry DOI: 10.7270/Q2CF9NPR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM85682
(CAS_5311315 | NF279 | NSC_5311315)Show SMILES [O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(NC(=O)c4ccc(NC(=O)Nc5ccc(cc5)C(=O)Nc5ccc(cc5)C(=O)Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C49H36N6O23S6/c56-45(50-29-9-1-27(2-10-29)47(58)54-37-17-19-39(81(67,68)69)35-21-33(79(61,62)63)23-41(43(35)37)83(73,74)75)25-5-13-31(14-6-25)52-49(60)53-32-15-7-26(8-16-32)46(57)51-30-11-3-28(4-12-30)48(59)55-38-18-20-40(82(70,71)72)36-22-34(80(64,65)66)24-42(44(36)38)84(76,77)78/h1-24H,(H,50,56)(H,51,57)(H,54,58)(H,55,59)(H2,52,53,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)/p-6 | KEGG
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PC cid
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocentre Niederursel
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)
Article DOI: 10.1007/s002100000312
BindingDB Entry DOI: 10.7270/Q2CF9NPR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM85730
(CAS_5311313 | NF023 | NSC_5311313)Show SMILES [O-]S(=O)(=O)c1cc(c2c(Nc3cccc(NC(=O)Nc4cccc(Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c4)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C33H26N4O19S6/c38-33(36-19-5-1-3-17(11-19)34-25-7-9-27(59(45,46)47)23-13-21(57(39,40)41)15-29(31(23)25)61(51,52)53)37-20-6-2-4-18(12-20)35-26-8-10-28(60(48,49)50)24-14-22(58(42,43)44)16-30(32(24)26)62(54,55)56/h1-16,34-35H,(H2,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)/p-6 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocentre Niederursel
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)
Article DOI: 10.1007/s002100000312
BindingDB Entry DOI: 10.7270/Q2CF9NPR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(RAT) | BDBM50000029
(4-Methyl-8-{4-methyl-3-[3-(3-{3-[2-methyl-5-(4,6,8...)Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/p-6 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocentre Niederursel
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)
Article DOI: 10.1007/s002100000312
BindingDB Entry DOI: 10.7270/Q2CF9NPR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50000029
(4-Methyl-8-{4-methyl-3-[3-(3-{3-[2-methyl-5-(4,6,8...)Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/p-6 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocentre Niederursel
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)
Article DOI: 10.1007/s002100000312
BindingDB Entry DOI: 10.7270/Q2CF9NPR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(RAT) | BDBM85682
(CAS_5311315 | NF279 | NSC_5311315)Show SMILES [O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(NC(=O)c4ccc(NC(=O)Nc5ccc(cc5)C(=O)Nc5ccc(cc5)C(=O)Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C49H36N6O23S6/c56-45(50-29-9-1-27(2-10-29)47(58)54-37-17-19-39(81(67,68)69)35-21-33(79(61,62)63)23-41(43(35)37)83(73,74)75)25-5-13-31(14-6-25)52-49(60)53-32-15-7-26(8-16-32)46(57)51-30-11-3-28(4-12-30)48(59)55-38-18-20-40(82(70,71)72)36-22-34(80(64,65)66)24-42(44(36)38)84(76,77)78/h1-24H,(H,50,56)(H,51,57)(H,54,58)(H,55,59)(H2,52,53,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)/p-6 | UniProtKB/SwissProt
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocentre Niederursel
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)
Article DOI: 10.1007/s002100000312
BindingDB Entry DOI: 10.7270/Q2CF9NPR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(RAT) | BDBM85730
(CAS_5311313 | NF023 | NSC_5311313)Show SMILES [O-]S(=O)(=O)c1cc(c2c(Nc3cccc(NC(=O)Nc4cccc(Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c4)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C33H26N4O19S6/c38-33(36-19-5-1-3-17(11-19)34-25-7-9-27(59(45,46)47)23-13-21(57(39,40)41)15-29(31(23)25)61(51,52)53)37-20-6-2-4-18(12-20)35-26-8-10-28(60(48,49)50)24-14-22(58(42,43)44)16-30(32(24)26)62(54,55)56/h1-16,34-35H,(H2,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)/p-6 | UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocentre Niederursel
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)
Article DOI: 10.1007/s002100000312
BindingDB Entry DOI: 10.7270/Q2CF9NPR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Homo sapiens (Human)) | BDBM50000029
(4-Methyl-8-{4-methyl-3-[3-(3-{3-[2-methyl-5-(4,6,8...)Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/p-6 | Reactome pathway
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CHEMBL
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocentre Niederursel
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)
Article DOI: 10.1007/s002100000312
BindingDB Entry DOI: 10.7270/Q2CF9NPR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(RAT) | BDBM50000029
(4-Methyl-8-{4-methyl-3-[3-(3-{3-[2-methyl-5-(4,6,8...)Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/p-6 | UniProtKB/SwissProt
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocentre Niederursel
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)
Article DOI: 10.1007/s002100000312
BindingDB Entry DOI: 10.7270/Q2CF9NPR |
More data for this
Ligand-Target Pair | |
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