Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50005264 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 |
|---|
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10885
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10884
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50490460
(CHEMBL2325977)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)Nc1nnc(s1)S(N)(=O)=O |r| Show InChI InChI=1S/C22H36N4O6S2/c1-2-3-6-9-15(27)12-13-17-16(18(28)14-19(17)29)10-7-4-5-8-11-20(30)24-21-25-26-22(33-21)34(23,31)32/h4,7,12-13,15-19,27-29H,2-3,5-6,8-11,14H2,1H3,(H2,23,31,32)(H,24,25,30)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50490454
(CHEMBL2325981)Show SMILES CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(=O)Nc1nnc(s1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H30N4O7S2/c1-12(2)31-18(28)8-6-4-3-5-7-13-14(16(26)11-15(13)25)9-10-17(27)22-19-23-24-20(32-19)33(21,29)30/h3,5,9-10,12-16,25-26H,4,6-8,11H2,1-2H3,(H2,21,29,30)(H,22,23,27)/b5-3-,10-9+/t13-,14-,15+,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50490462
(CHEMBL2325976)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)N(CC)[C@H]1CN(CCCOC)S(=O)(=O)C2SC(=CC12)S(N)(=O)=O |r,c:41| Show InChI InChI=1S/C32H55N3O9S3/c1-4-6-9-13-23(36)16-17-25-24(28(37)21-29(25)38)14-10-7-8-11-15-30(39)35(5-2)27-22-34(18-12-19-44-3)47(42,43)32-26(27)20-31(45-32)46(33,40)41/h7,10,16-17,20,23-29,32,36-38H,4-6,8-9,11-15,18-19,21-22H2,1-3H3,(H2,33,40,41)/b10-7-,17-16+/t23-,24+,25+,26?,27-,28-,29+,32?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
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
MMDB
PDB
Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50490455
(CHEMBL2326218)Show SMILES COC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C21H28N4O6S/c1-31-20(28)7-5-3-2-4-6-16-18(26)12-19(27)21(16)17-13-25(24-23-17)14-8-10-15(11-9-14)32(22,29)30/h2,4,8-11,13,16,18-19,21,26-27H,3,5-7,12H2,1H3,(H2,22,29,30)/b4-2-/t16-,18-,19+,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50490459
(CHEMBL2326219)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(nn1)[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C20H26N4O6S/c21-31(29,30)14-9-7-13(8-10-14)24-12-16(22-23-24)20-15(17(25)11-18(20)26)5-3-1-2-4-6-19(27)28/h1,3,7-10,12,15,17-18,20,25-26H,2,4-6,11H2,(H,27,28)(H2,21,29,30)/b3-1-/t15-,17-,18+,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50490453
(CHEMBL2325978)Show SMILES CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CNCC(=O)Nc1nnc(s1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H33N5O7S2/c1-12(2)32-18(29)8-6-4-3-5-7-13-14(16(27)9-15(13)26)10-22-11-17(28)23-19-24-25-20(33-19)34(21,30)31/h3,5,12-16,22,26-27H,4,6-11H2,1-2H3,(H2,21,30,31)(H,23,24,28)/b5-3-/t13-,14-,15+,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50490458
(CHEMBL2325975)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)NCCc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C28H44N2O6S/c1-2-3-6-9-22(31)14-17-25-24(26(32)20-27(25)33)10-7-4-5-8-11-28(34)30-19-18-21-12-15-23(16-13-21)37(29,35)36/h4,7,12-17,22,24-27,31-33H,2-3,5-6,8-11,18-20H2,1H3,(H,30,34)(H2,29,35,36)/b7-4-,17-14+/t22-,24+,25+,26-,27+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50490456
(CHEMBL2326217)Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)C2SC(=CC12)S(N)(=O)=O)C(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r,c:12| Show InChI InChI=1S/C25H38N2O9S3/c1-3-27(19-12-15(2)38(33,34)25-18(19)13-24(37-25)39(26,35)36)22(30)11-10-17-16(20(28)14-21(17)29)8-6-4-5-7-9-23(31)32/h4,6,10-11,13,15-21,25,28-29H,3,5,7-9,12,14H2,1-2H3,(H,31,32)(H2,26,35,36)/b6-4-,11-10+/t15-,16+,17+,18?,19-,20-,21+,25?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50490457
(CHEMBL2325980)Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)C2SC(=CC12)S(N)(=O)=O)C(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C |r,c:12| Show InChI InChI=1S/C28H44N2O9S3/c1-5-30(22-14-18(4)41(35,36)28-21(22)15-27(40-28)42(29,37)38)25(33)13-12-20-19(23(31)16-24(20)32)10-8-6-7-9-11-26(34)39-17(2)3/h6,8,12-13,15,17-24,28,31-32H,5,7,9-11,14,16H2,1-4H3,(H2,29,37,38)/b8-6-,13-12+/t18-,19+,20+,21?,22-,23-,24+,28?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50490461
(CHEMBL2325979)Show SMILES NS(=O)(=O)c1nnc(NC(=O)CNC[C@H]2[C@H](O)C[C@H](O)[C@@H]2C\C=C/CCCC(O)=O)s1 |r| Show InChI InChI=1S/C17H27N5O7S2/c18-31(28,29)17-22-21-16(30-17)20-14(25)9-19-8-11-10(12(23)7-13(11)24)5-3-1-2-4-6-15(26)27/h1,3,10-13,19,23-24H,2,4-9H2,(H,26,27)(H2,18,28,29)(H,20,21,25)/b3-1-/t10-,11-,12+,13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Prostaglandin F2-alpha receptor
(MOUSE) | BDBM50490455
(CHEMBL2326218)Show SMILES COC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C21H28N4O6S/c1-31-20(28)7-5-3-2-4-6-16-18(26)12-19(27)21(16)17-13-25(24-23-17)14-8-10-15(11-9-14)32(22,29)30/h2,4,8-11,13,16,18-19,21,26-27H,3,5-7,12H2,1H3,(H2,22,29,30)/b4-2-/t16-,18-,19+,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | <5.01E+3 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Prostaglandin F2-alpha receptor
(MOUSE) | BDBM50490456
(CHEMBL2326217)Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)C2SC(=CC12)S(N)(=O)=O)C(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r,c:12| Show InChI InChI=1S/C25H38N2O9S3/c1-3-27(19-12-15(2)38(33,34)25-18(19)13-24(37-25)39(26,35)36)22(30)11-10-17-16(20(28)14-21(17)29)8-6-4-5-7-9-23(31)32/h4,6,10-11,13,15-21,25,28-29H,3,5,7-9,12,14H2,1-2H3,(H,31,32)(H2,26,35,36)/b6-4-,11-10+/t15-,16+,17+,18?,19-,20-,21+,25?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | <5.01E+3 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Prostaglandin F2-alpha receptor
(MOUSE) | BDBM50490462
(CHEMBL2325976)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)N(CC)[C@H]1CN(CCCOC)S(=O)(=O)C2SC(=CC12)S(N)(=O)=O |r,c:41| Show InChI InChI=1S/C32H55N3O9S3/c1-4-6-9-13-23(36)16-17-25-24(28(37)21-29(25)38)14-10-7-8-11-15-30(39)35(5-2)27-22-34(18-12-19-44-3)47(42,43)32-26(27)20-31(45-32)46(33,40)41/h7,10,16-17,20,23-29,32,36-38H,4-6,8-9,11-15,18-19,21-22H2,1-3H3,(H2,33,40,41)/b10-7-,17-16+/t23-,24+,25+,26?,27-,28-,29+,32?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | <5.01E+3 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Prostaglandin F2-alpha receptor
(MOUSE) | BDBM50490454
(CHEMBL2325981)Show SMILES CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(=O)Nc1nnc(s1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H30N4O7S2/c1-12(2)31-18(28)8-6-4-3-5-7-13-14(16(26)11-15(13)25)9-10-17(27)22-19-23-24-20(32-19)33(21,29)30/h3,5,9-10,12-16,25-26H,4,6-8,11H2,1-2H3,(H2,21,29,30)(H,22,23,27)/b5-3-,10-9+/t13-,14-,15+,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | <5.01E+3 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Prostaglandin F2-alpha receptor
(MOUSE) | BDBM50485606
(CHEBI:63925 | Latanoprost acid)Show SMILES O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O)CCc1ccccc1 Show InChI InChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,18-22,24-26H,2,7,10-16H2,(H,27,28)/b6-1-/t18-,19+,20+,21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prostaglandin F2-alpha receptor
(MOUSE) | BDBM50490460
(CHEMBL2325977)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)Nc1nnc(s1)S(N)(=O)=O |r| Show InChI InChI=1S/C22H36N4O6S2/c1-2-3-6-9-15(27)12-13-17-16(18(28)14-19(17)29)10-7-4-5-8-11-20(30)24-21-25-26-22(33-21)34(23,31)32/h4,7,12-13,15-19,27-29H,2-3,5-6,8-11,14H2,1H3,(H2,23,31,32)(H,24,25,30)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Prostaglandin F2-alpha receptor
(MOUSE) | BDBM50035622
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prostaglandin F2-alpha receptor
(MOUSE) | BDBM50490461
(CHEMBL2325979)Show SMILES NS(=O)(=O)c1nnc(NC(=O)CNC[C@H]2[C@H](O)C[C@H](O)[C@@H]2C\C=C/CCCC(O)=O)s1 |r| Show InChI InChI=1S/C17H27N5O7S2/c18-31(28,29)17-22-21-16(30-17)20-14(25)9-19-8-11-10(12(23)7-13(11)24)5-3-1-2-4-6-15(26)27/h1,3,10-13,19,23-24H,2,4-9H2,(H,26,27)(H2,18,28,29)(H,20,21,25)/b3-1-/t10-,11-,12+,13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | <5.01E+3 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Prostaglandin F2-alpha receptor
(MOUSE) | BDBM50490458
(CHEMBL2325975)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)NCCc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C28H44N2O6S/c1-2-3-6-9-22(31)14-17-25-24(26(32)20-27(25)33)10-7-4-5-8-11-28(34)30-19-18-21-12-15-23(16-13-21)37(29,35)36/h4,7,12-17,22,24-27,31-33H,2-3,5-6,8-11,18-20H2,1H3,(H,30,34)(H2,29,35,36)/b7-4-,17-14+/t22-,24+,25+,26-,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | <5.01E+3 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Prostaglandin F2-alpha receptor
(MOUSE) | BDBM50490453
(CHEMBL2325978)Show SMILES CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CNCC(=O)Nc1nnc(s1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H33N5O7S2/c1-12(2)32-18(29)8-6-4-3-5-7-13-14(16(27)9-15(13)26)10-22-11-17(28)23-19-24-25-20(33-19)34(21,30)31/h3,5,12-16,22,26-27H,4,6-11H2,1-2H3,(H2,21,30,31)(H,23,24,28)/b5-3-/t13-,14-,15+,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | <5.01E+3 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Prostaglandin F2-alpha receptor
(MOUSE) | BDBM50490457
(CHEMBL2325980)Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)C2SC(=CC12)S(N)(=O)=O)C(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C |r,c:12| Show InChI InChI=1S/C28H44N2O9S3/c1-5-30(22-14-18(4)41(35,36)28-21(22)15-27(40-28)42(29,37)38)25(33)13-12-20-19(23(31)16-24(20)32)10-8-6-7-9-11-26(34)39-17(2)3/h6,8,12-13,15,17-24,28,31-32H,5,7,9-11,14,16H2,1-4H3,(H2,29,37,38)/b8-6-,13-12+/t18-,19+,20+,21?,22-,23-,24+,28?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | <5.01E+3 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
Prostaglandin F2-alpha receptor
(MOUSE) | BDBM50490459
(CHEMBL2326219)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(nn1)[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C20H26N4O6S/c21-31(29,30)14-9-7-13(8-10-14)24-12-16(22-23-24)20-15(17(25)11-18(20)26)5-3-1-2-4-6-19(27)28/h1,3,7-10,12,15,17-18,20,25-26H,2,4-6,11H2,(H,27,28)(H2,21,29,30)/b3-1-/t15-,17-,18+,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR |
Bioorg Med Chem Lett 23: 939-43 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54 |
More data for this
Ligand-Target Pair | |
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