Found 1069 hits with Last Name = 'nirschl' and Initial = 'd' 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 |
|---|
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50230322
(CHEMBL4071545)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17| Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.08.008
BindingDB Entry DOI: 10.7270/Q23F4T2C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50525762
(CHEMBL4467360)Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1c(F)ccc(Cl)c1F |r,t:18| Show InChI InChI=1S/C28H25Cl2F2N5O5/c1-41-27(39)33-14-7-8-15-18(13-14)34-21(38)6-4-2-3-5-19(26-35-24(15)25(30)36-26)37-12-11-20(42-28(37)40)22-17(31)10-9-16(29)23(22)32/h2-3,7-10,13,19-20H,4-6,11-12H2,1H3,(H,33,39)(H,34,38)(H,35,36)/b3-2+/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.08.008
BindingDB Entry DOI: 10.7270/Q23F4T2C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440220
(CHEMBL2426624)Show SMILES CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C25H20FN5OS/c1-16(24(32)29-25-30-27-15-33-25)23(17-5-3-2-4-6-17)18-7-12-22-19(13-18)14-28-31(22)21-10-8-20(26)9-11-21/h2-16,23H,1H3,(H,29,30,32)/t16?,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440220
(CHEMBL2426624)Show SMILES CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C25H20FN5OS/c1-16(24(32)29-25-30-27-15-33-25)23(17-5-3-2-4-6-17)18-7-12-22-19(13-18)14-28-31(22)21-10-8-20(26)9-11-21/h2-16,23H,1H3,(H,29,30,32)/t16?,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440216
(CHEMBL2426648)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1cccnc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C25H22N6OS/c1-25(2,23(32)29-24-30-27-16-33-24)22(17-7-4-3-5-8-17)18-10-11-21-19(13-18)14-28-31(21)20-9-6-12-26-15-20/h3-16,22H,1-2H3,(H,29,30,32)/t22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50525762
(CHEMBL4467360)Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1c(F)ccc(Cl)c1F |r,t:18| Show InChI InChI=1S/C28H25Cl2F2N5O5/c1-41-27(39)33-14-7-8-15-18(13-14)34-21(38)6-4-2-3-5-19(26-35-24(15)25(30)36-26)37-12-11-20(42-28(37)40)22-17(31)10-9-16(29)23(22)32/h2-3,7-10,13,19-20H,4-6,11-12H2,1H3,(H,33,39)(H,34,38)(H,35,36)/b3-2+/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.08.008
BindingDB Entry DOI: 10.7270/Q23F4T2C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348410
(CHEMBL1801004)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C19H19N3O2S/c1-19(2,17(24)21-18-22-20-12-25-18)16(13-6-4-3-5-7-13)14-8-10-15(23)11-9-14/h3-12,16,23H,1-2H3,(H,21,22,24)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440230
(CHEMBL2426639)Show SMILES CC(C)(C(Cc1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 Show InChI InChI=1S/C27H24FN5OS/c1-27(2,25(34)31-26-32-29-17-35-26)23(14-18-6-4-3-5-7-18)19-8-13-24-20(15-19)16-30-33(24)22-11-9-21(28)10-12-22/h3-13,15-17,23H,14H2,1-2H3,(H,31,32,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18207
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 | PDB
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
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440233
(CHEMBL2426636)Show SMILES CCCC(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)C(=O)Nc1nncs1 Show InChI InChI=1S/C23H24FN5OS/c1-4-5-19(23(2,3)21(30)27-22-28-25-14-31-22)15-6-11-20-16(12-15)13-26-29(20)18-9-7-17(24)8-10-18/h6-14,19H,4-5H2,1-3H3,(H,27,28,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50525770
(CHEMBL4452300)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CCC(NC1=O)c1c(F)ccc(Cl)c1F |r,t:17| Show InChI InChI=1S/C28H27ClF2N6O4/c1-41-28(40)33-15-7-8-16-20(13-15)34-23(38)6-4-2-3-5-22(26-32-14-21(16)35-26)37-12-11-19(36-27(37)39)24-18(30)10-9-17(29)25(24)31/h2-3,7-10,13-14,19,22H,4-6,11-12H2,1H3,(H,32,35)(H,33,40)(H,34,38)(H,36,39)/b3-2+/t19?,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.08.008
BindingDB Entry DOI: 10.7270/Q23F4T2C |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50525779
(CHEMBL4550408)Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1cc(Cl)ccc1C(F)(F)F |r,t:18| Show InChI InChI=1S/C29H26Cl2F3N5O5/c1-43-27(41)35-16-8-9-17-20(14-16)36-23(40)6-4-2-3-5-21(26-37-24(17)25(31)38-26)39-12-11-22(44-28(39)42)18-13-15(30)7-10-19(18)29(32,33)34/h2-3,7-10,13-14,21-22H,4-6,11-12H2,1H3,(H,35,41)(H,36,40)(H,37,38)/b3-2+/t21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.08.008
BindingDB Entry DOI: 10.7270/Q23F4T2C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440214
(CHEMBL2426650)Show SMILES CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)-c1ccncc1)C(=O)Nc1nncs1 Show InChI InChI=1S/C25H22N6OS/c1-25(2,23(32)29-24-30-27-16-33-24)22(17-6-4-3-5-7-17)18-8-9-21-19(14-18)15-28-31(21)20-10-12-26-13-11-20/h3-16,22H,1-2H3,(H,29,30,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50525772
(CHEMBL4475559)Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1cc(Cl)ccc1F |r,t:18| Show InChI InChI=1S/C28H26Cl2FN5O5/c1-40-27(38)32-16-8-9-17-20(14-16)33-23(37)6-4-2-3-5-21(26-34-24(17)25(30)35-26)36-12-11-22(41-28(36)39)18-13-15(29)7-10-19(18)31/h2-3,7-10,13-14,21-22H,4-6,11-12H2,1H3,(H,32,38)(H,33,37)(H,34,35)/b3-2+/t21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.08.008
BindingDB Entry DOI: 10.7270/Q23F4T2C |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50525773
(CHEMBL4460266)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](CC1=O)c1c(F)ccc(Cl)c1F |r,t:17| Show InChI InChI=1S/C29H28ClF2N5O4/c1-41-29(40)34-17-7-8-18-21(14-17)35-24(38)6-4-2-3-5-23(28-33-15-22(18)36-28)37-12-11-16(13-25(37)39)26-20(31)10-9-19(30)27(26)32/h2-3,7-10,14-16,23H,4-6,11-13H2,1H3,(H,33,36)(H,34,40)(H,35,38)/b3-2+/t16-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.08.008
BindingDB Entry DOI: 10.7270/Q23F4T2C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440220
(CHEMBL2426624)Show SMILES CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C25H20FN5OS/c1-16(24(32)29-25-30-27-15-33-25)23(17-5-3-2-4-6-17)18-7-12-22-19(13-18)14-28-31(22)21-10-8-20(26)9-11-21/h2-16,23H,1H3,(H,29,30,32)/t16?,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440232
(CHEMBL2426637)Show SMILES CC(C)C(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)C(=O)Nc1nncs1 Show InChI InChI=1S/C23H24FN5OS/c1-14(2)20(23(3,4)21(30)27-22-28-25-13-31-22)15-5-10-19-16(11-15)12-26-29(19)18-8-6-17(24)7-9-18/h5-14,20H,1-4H3,(H,27,28,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440220
(CHEMBL2426624)Show SMILES CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C25H20FN5OS/c1-16(24(32)29-25-30-27-15-33-25)23(17-5-3-2-4-6-17)18-7-12-22-19(13-18)14-28-31(22)21-10-8-20(26)9-11-21/h2-16,23H,1H3,(H,29,30,32)/t16?,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440246
(CHEMBL2426658)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc2[nH]ncc2c1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C20H19N5OS/c1-20(2,18(26)23-19-25-22-12-27-19)17(13-6-4-3-5-7-13)14-8-9-16-15(10-14)11-21-24-16/h3-12,17H,1-2H3,(H,21,24)(H,23,25,26)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50063669
(CHEMBL3398641)Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of activated coagulation factor 11 (unknown origin) assessed as inhibitory constant |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.08.008
BindingDB Entry DOI: 10.7270/Q23F4T2C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440215
(CHEMBL2426649)Show SMILES CC(C)([C@H](c1ccccc1)c1ccc2n(ncc2c1)-c1cccnc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C25H22N6OS/c1-25(2,23(32)29-24-30-27-16-33-24)22(17-7-4-3-5-8-17)18-10-11-21-19(13-18)14-28-31(21)20-9-6-12-26-15-20/h3-16,22H,1-2H3,(H,29,30,32)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50525771
(CHEMBL4465144)Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1cccc(Cl)c1 |r,t:18| Show InChI InChI=1S/C28H27Cl2N5O5/c1-39-27(37)31-18-10-11-19-20(15-18)32-23(36)9-4-2-3-8-21(26-33-24(19)25(30)34-26)35-13-12-22(40-28(35)38)16-6-5-7-17(29)14-16/h2-3,5-7,10-11,14-15,21-22H,4,8-9,12-13H2,1H3,(H,31,37)(H,32,36)(H,33,34)/b3-2+/t21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.08.008
BindingDB Entry DOI: 10.7270/Q23F4T2C |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50525769
(CHEMBL4551053)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1c(F)ccc(Cl)c1F |r,t:17| Show InChI InChI=1S/C28H26ClF2N5O5/c1-40-27(38)33-15-7-8-16-19(13-15)34-23(37)6-4-2-3-5-21(26-32-14-20(16)35-26)36-12-11-22(41-28(36)39)24-18(30)10-9-17(29)25(24)31/h2-3,7-10,13-14,21-22H,4-6,11-12H2,1H3,(H,32,35)(H,33,38)(H,34,37)/b3-2+/t21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.08.008
BindingDB Entry DOI: 10.7270/Q23F4T2C |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50525761
(CHEMBL4463167)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CCC(NC1=O)c1cccc(Cl)c1 |r,t:17| Show InChI InChI=1S/C28H29ClN6O4/c1-39-28(38)31-19-10-11-20-22(15-19)32-25(36)9-4-2-3-8-24(26-30-16-23(20)33-26)35-13-12-21(34-27(35)37)17-6-5-7-18(29)14-17/h2-3,5-7,10-11,14-16,21,24H,4,8-9,12-13H2,1H3,(H,30,33)(H,31,38)(H,32,36)(H,34,37)/b3-2+/t21?,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.08.008
BindingDB Entry DOI: 10.7270/Q23F4T2C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440244
(CHEMBL2426660)Show SMILES CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)-c1ccccc1)C(=O)Nc1nncs1 Show InChI InChI=1S/C26H23N5OS/c1-26(2,24(32)29-25-30-27-17-33-25)23(18-9-5-3-6-10-18)19-13-14-22-20(15-19)16-28-31(22)21-11-7-4-8-12-21/h3-17,23H,1-2H3,(H,29,30,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440243
(CHEMBL2426662)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C26H22FN5OS/c1-26(2,24(33)30-25-31-28-16-34-25)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-29-32(22)21-11-9-20(27)10-12-21/h3-16,23H,1-2H3,(H,30,31,33)/t23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50525763
(CHEMBL4438562)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](CC1=O)c1cccc(Cl)c1 |r,t:17| Show InChI InChI=1S/C29H30ClN5O4/c1-39-29(38)32-21-10-11-22-23(16-21)33-26(36)9-4-2-3-8-25(28-31-17-24(22)34-28)35-13-12-19(15-27(35)37)18-6-5-7-20(30)14-18/h2-3,5-7,10-11,14,16-17,19,25H,4,8-9,12-13,15H2,1H3,(H,31,34)(H,32,38)(H,33,36)/b3-2+/t19-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.08.008
BindingDB Entry DOI: 10.7270/Q23F4T2C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440209
(CHEMBL2426656)Show SMILES CC(C)CCn1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1 Show InChI InChI=1S/C25H29N5OS/c1-17(2)12-13-30-21-11-10-19(14-20(21)15-27-30)22(18-8-6-5-7-9-18)25(3,4)23(31)28-24-29-26-16-32-24/h5-11,14-17,22H,12-13H2,1-4H3,(H,28,29,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440219
(CHEMBL2426665)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(28)10-12-22/h3-17,24H,1-2H3,(H,29,31,33)/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440242
(CHEMBL2426663)Show SMILES CC(C)([C@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C26H22FN5OS/c1-26(2,24(33)30-25-31-28-16-34-25)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-29-32(22)21-11-9-20(27)10-12-21/h3-16,23H,1-2H3,(H,30,31,33)/t23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440212
(CHEMBL2426653)Show SMILES CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(O)cc1)C(=O)Nc1nncs1 Show InChI InChI=1S/C26H23N5O2S/c1-26(2,24(33)29-25-30-27-16-34-25)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-28-31(22)20-9-11-21(32)12-10-20/h3-16,23,32H,1-2H3,(H,29,30,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440231
(CHEMBL2426638)Show SMILES CC(C)CC(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)C(=O)Nc1nncs1 Show InChI InChI=1S/C24H26FN5OS/c1-15(2)11-20(24(3,4)22(31)28-23-29-26-14-32-23)16-5-10-21-17(12-16)13-27-30(21)19-8-6-18(25)7-9-19/h5-10,12-15,20H,11H2,1-4H3,(H,28,29,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440218
(CHEMBL2426644)Show SMILES CC(C)([C@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(28)10-12-22/h3-17,24H,1-2H3,(H,29,31,33)/t24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440240
(CHEMBL2426647)Show SMILES CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)-c1ccccn1)C(=O)Nc1nncs1 Show InChI InChI=1S/C25H22N6OS/c1-25(2,23(32)29-24-30-27-16-33-24)22(17-8-4-3-5-9-17)18-11-12-20-19(14-18)15-28-31(20)21-10-6-7-13-26-21/h3-16,22H,1-2H3,(H,29,30,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440213
(CHEMBL2426652)Show SMILES COc1ccc(cc1)-n1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1 Show InChI InChI=1S/C27H25N5O2S/c1-27(2,25(33)30-26-31-28-17-35-26)24(18-7-5-4-6-8-18)19-9-14-23-20(15-19)16-29-32(23)21-10-12-22(34-3)13-11-21/h4-17,24H,1-3H3,(H,30,31,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440234
(CHEMBL2426635)Show SMILES CCC(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)C(=O)Nc1nccs1 Show InChI InChI=1S/C23H23FN4OS/c1-4-19(23(2,3)21(29)27-22-25-11-12-30-22)15-5-10-20-16(13-15)14-26-28(20)18-8-6-17(24)7-9-18/h5-14,19H,4H2,1-3H3,(H,25,27,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440211
(CHEMBL2426654)Show SMILES CC(C)n1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1 Show InChI InChI=1S/C23H25N5OS/c1-15(2)28-19-11-10-17(12-18(19)13-25-28)20(16-8-6-5-7-9-16)23(3,4)21(29)26-22-27-24-14-30-22/h5-15,20H,1-4H3,(H,26,27,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Free fatty acid receptor 1
(Homo sapiens (Human)) | BDBM50267028
(CHEMBL4073525)Show SMILES Cc1cc(OCc2ccccc2)ccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r| Show InChI InChI=1S/C27H26F3NO4/c1-18-13-24(34-17-19-5-3-2-4-6-19)11-12-25(18)35-23-9-7-21(8-10-23)31-16-20(27(28,29)30)14-22(31)15-26(32)33/h2-13,20,22H,14-17H2,1H3,(H,32,33)/t20-,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay |
J Med Chem 60: 1417-1431 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440225
(CHEMBL2426625)Show SMILES CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nn1nccn1 Show InChI InChI=1S/C26H23FN6O/c1-26(2,25(34)31-33-28-14-15-29-33)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(27)10-12-22/h3-17,24H,1-2H3,(H,31,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440226
(CHEMBL2426643)Show SMILES CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1ccsc1 Show InChI InChI=1S/C28H24FN3OS/c1-28(2,27(33)31-23-14-15-34-18-23)26(19-6-4-3-5-7-19)20-8-13-25-21(16-20)17-30-32(25)24-11-9-22(29)10-12-24/h3-18,26H,1-2H3,(H,31,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440223
(CHEMBL2426627)Show SMILES Cc1cnc(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3n(ncc3c2)-c2ccc(F)cc2)s1 Show InChI InChI=1S/C28H25FN4OS/c1-18-16-30-27(35-18)32-26(34)28(2,3)25(19-7-5-4-6-8-19)20-9-14-24-21(15-20)17-31-33(24)23-12-10-22(29)11-13-23/h4-17,25H,1-3H3,(H,30,32,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440227
(CHEMBL2426642)Show SMILES CC(C)(C(c1ccncc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1 Show InChI InChI=1S/C26H22FN5OS/c1-26(2,24(33)31-25-29-13-14-34-25)23(17-9-11-28-12-10-17)18-3-8-22-19(15-18)16-30-32(22)21-6-4-20(27)5-7-21/h3-16,23H,1-2H3,(H,29,31,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440207
(CHEMBL2426633)Show SMILES CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)C1CCCCCC1)C(=O)Nc1nncs1 Show InChI InChI=1S/C27H31N5OS/c1-27(2,25(33)30-26-31-28-18-34-26)24(19-10-6-5-7-11-19)20-14-15-23-21(16-20)17-29-32(23)22-12-8-3-4-9-13-22/h5-7,10-11,14-18,22,24H,3-4,8-9,12-13H2,1-2H3,(H,30,31,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Free fatty acid receptor 1
(Homo sapiens (Human)) | BDBM50267031
(CHEMBL4079930)Show SMILES Cc1c(Cl)cccc1Oc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF3NO3/c1-12-17(21)3-2-4-18(12)28-16-7-5-14(6-8-16)25-11-13(20(22,23)24)9-15(25)10-19(26)27/h2-8,13,15H,9-11H2,1H3,(H,26,27)/t13-,15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay |
J Med Chem 60: 1417-1431 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01559
BindingDB Entry DOI: 10.7270/Q25X2CD5 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440245
(CHEMBL2426659)Show SMILES CC(C)([C@H](c1ccccc1)c1ccc2[nH]ncc2c1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C20H19N5OS/c1-20(2,18(26)23-19-25-22-12-27-19)17(13-6-4-3-5-7-13)14-8-9-16-15(10-14)11-21-24-16/h3-12,17H,1-2H3,(H,21,24)(H,23,25,26)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440237
(CHEMBL2426631)Show SMILES CC(C)(C(c1ccccc1)c1ccc2n(Cc3ccccc3)ncc2c1)C(=O)Nc1nncs1 Show InChI InChI=1S/C27H25N5OS/c1-27(2,25(33)30-26-31-28-18-34-26)24(20-11-7-4-8-12-20)21-13-14-23-22(15-21)16-29-32(23)17-19-9-5-3-6-10-19/h3-16,18,24H,17H2,1-2H3,(H,30,31,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440222
(CHEMBL2426628)Show SMILES Cc1csc(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3n(ncc3c2)-c2ccc(F)cc2)n1 Show InChI InChI=1S/C28H25FN4OS/c1-18-17-35-27(31-18)32-26(34)28(2,3)25(19-7-5-4-6-8-19)20-9-14-24-21(15-20)16-30-33(24)23-12-10-22(29)11-13-23/h4-17,25H,1-3H3,(H,31,32,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440218
(CHEMBL2426644)Show SMILES CC(C)([C@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(28)10-12-22/h3-17,24H,1-2H3,(H,29,31,33)/t24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440238
(CHEMBL2426630)Show SMILES CC(C)(C(c1ccccc1)c1ccc2C(CCCO)N=Cc2c1)C(=O)Nc1nncs1 |c:20| Show InChI InChI=1S/C24H26N4O2S/c1-24(2,22(30)27-23-28-26-15-31-23)21(16-7-4-3-5-8-16)17-10-11-19-18(13-17)14-25-20(19)9-6-12-29/h3-5,7-8,10-11,13-15,20-21,29H,6,9,12H2,1-2H3,(H,27,28,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50525764
(CHEMBL4515523)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1cccc(Cl)c1 |r,t:17| Show InChI InChI=1S/C28H28ClN5O5/c1-38-27(36)31-19-10-11-20-21(15-19)32-25(35)9-4-2-3-8-23(26-30-16-22(20)33-26)34-13-12-24(39-28(34)37)17-6-5-7-18(29)14-17/h2-3,5-7,10-11,14-16,23-24H,4,8-9,12-13H2,1H3,(H,30,33)(H,31,36)(H,32,35)/b3-2+/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.08.008
BindingDB Entry DOI: 10.7270/Q23F4T2C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Search and Browse
