Found 40 hits with Last Name = 'keats' and Initial = 'aj' 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 |
|---|
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230294
(CHEMBL4071740)Show SMILES CO[C@@H]1CC\C=C\c2cccc(c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C |r,t:5| Show InChI InChI=1S/C36H48N4O7/c1-22(2)32-34(43)37-30(21-26-13-9-15-28(41)20-26)35(44)40-18-10-16-29(39-40)36(45)47-24(4)27-14-8-12-25(19-27)11-6-7-17-31(46-5)23(3)33(42)38-32/h6,8-9,11-15,19-20,22-24,29-32,39,41H,7,10,16-18,21H2,1-5H3,(H,37,43)(H,38,42)/b11-6+/t23-,24-,29+,30+,31-,32+/m1/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
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230211
(CHEMBL4063126)Show SMILES CC(C)[C@@H]1NC(=O)CCCC\C=C\c2cccc(c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC1=O |r,t:11| Show InChI InChI=1S/C28H40N4O5/c1-18(2)25-26(34)29-19(3)27(35)32-16-10-14-23(31-32)28(36)37-20(4)22-13-9-12-21(17-22)11-7-5-6-8-15-24(33)30-25/h7,9,11-13,17-20,23,25,31H,5-6,8,10,14-16H2,1-4H3,(H,29,34)(H,30,33)/b11-7+/t19-,20+,23-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50022815
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230212
(CHEMBL4084776)Show SMILES CO[C@@H]1CC\C=C\c2cccc(c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C |r,t:5| Show InChI InChI=1S/C30H44N4O6/c1-18(2)26-28(36)31-20(4)29(37)34-16-10-14-24(33-34)30(38)40-21(5)23-13-9-12-22(17-23)11-7-8-15-25(39-6)19(3)27(35)32-26/h7,9,11-13,17-21,24-26,33H,8,10,14-16H2,1-6H3,(H,31,36)(H,32,35)/b11-7+/t19-,20+,21-,24+,25-,26+/m1/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
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230213
(CHEMBL4092526)Show SMILES CO[C@@H]1CC\C=C\c2cccc(COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(O)c3)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C)c2 |r,t:5| Show InChI InChI=1S/C35H46N4O7/c1-22(2)31-33(42)36-29(20-25-12-8-14-27(40)19-25)34(43)39-17-9-15-28(38-39)35(44)46-21-26-13-7-11-24(18-26)10-5-6-16-30(45-4)23(3)32(41)37-31/h5,7-8,10-14,18-19,22-23,28-31,38,40H,6,9,15-17,20-21H2,1-4H3,(H,36,42)(H,37,41)/b10-5+/t23-,28+,29+,30-,31+/m1/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
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230210
(CHEMBL4090107)Show SMILES CO[C@H]1\C=C\C=C\CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](OC)[C@H]1C)C(C)C |r,t:3,5| Show InChI InChI=1S/C34H50N4O8/c1-21(2)29-32(41)35-27(20-24-13-11-14-25(39)19-24)33(42)38-17-12-15-26(37-38)34(43)46-18-10-8-7-9-16-28(44-5)22(3)30(45-6)23(4)31(40)36-29/h7-9,11,13-14,16,19,21-23,26-30,37,39H,10,12,15,17-18,20H2,1-6H3,(H,35,41)(H,36,40)/b8-7+,16-9+/t22-,23+,26-,27-,28-,29-,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230209
(CHEMBL4100272)Show SMILES CO[C@@H]1CC\C=C\C=C\CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C |r,t:5,7| Show InChI InChI=1S/C32H46N4O7/c1-21(2)28-30(39)33-26(20-23-13-11-14-24(37)19-23)31(40)36-17-12-15-25(35-36)32(41)43-18-10-8-6-5-7-9-16-27(42-4)22(3)29(38)34-28/h5-8,11,13-14,19,21-22,25-28,35,37H,9-10,12,15-18,20H2,1-4H3,(H,33,39)(H,34,38)/b7-5+,8-6+/t22-,25+,26+,27-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230293
(CHEMBL4082253)Show SMILES CC(C)[C@@H]1NC(=O)CCCC\C=C\C=C\CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC1=O |r,t:11,13| Show InChI InChI=1S/C30H42N4O6/c1-21(2)27-28(37)31-25(20-22-13-11-14-23(35)19-22)29(38)34-17-12-15-24(33-34)30(39)40-18-10-8-6-4-3-5-7-9-16-26(36)32-27/h3-4,6,8,11,13-14,19,21,24-25,27,33,35H,5,7,9-10,12,15-18,20H2,1-2H3,(H,31,37)(H,32,36)/b4-3+,8-6+/t24-,25-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 795 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450017
(CHEMBL4173859)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](OC)\C=C\c1cc3cc(ccc3cn1)[C@@H](C)OC2=O)C(C)C |r,t:24| Show InChI InChI=1S/C31H41N5O6/c1-17(2)27-29(38)33-19(4)30(39)36-13-7-8-25(35-36)31(40)42-20(5)21-9-10-22-16-32-24(15-23(22)14-21)11-12-26(41-6)18(3)28(37)34-27/h9-12,14-20,25-27,35H,7-8,13H2,1-6H3,(H,33,38)(H,34,37)/b12-11+/t18-,19+,20-,25+,26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450018
(CHEMBL4162497)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCCC\C=C\c1cc3cc(ccc3cn1)[C@@H](C)OC2=O)C(C)C |r,t:23| Show InChI InChI=1S/C31H41N5O5/c1-19(2)28-29(38)33-20(3)30(39)36-15-9-11-26(35-36)31(40)41-21(4)22-13-14-23-18-32-25(17-24(23)16-22)10-7-5-6-8-12-27(37)34-28/h7,10,13-14,16-21,26,28,35H,5-6,8-9,11-12,15H2,1-4H3,(H,33,38)(H,34,37)/b10-7+/t20-,21+,26-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450019
(CHEMBL4174251)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C\C=C\c1ccc3ccc(nc3c1)[C@@H](C)OC2=O)C(C)C |r,t:20| Show InChI InChI=1S/C28H35N5O5/c1-16(2)25-26(35)29-17(3)27(36)33-14-6-8-22(32-33)28(37)38-18(4)21-13-12-20-11-10-19(15-23(20)30-21)7-5-9-24(34)31-25/h5,7,10-13,15-18,22,25,32H,6,8-9,14H2,1-4H3,(H,29,35)(H,31,34)/b7-5+/t17-,18+,22-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450036
(CHEMBL4170010)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](OC(=O)C(CO)(CO)\C=C\c1ccc3ccc(nc3c1)[C@@H](C)NC2=O)C(C)C |r,t:24| Show InChI InChI=1S/C30H39N5O7/c1-17(2)25-27(39)32-19(4)28(40)35-13-5-6-23(34-35)26(38)31-18(3)22-10-9-21-8-7-20(14-24(21)33-22)11-12-30(15-36,16-37)29(41)42-25/h7-12,14,17-19,23,25,34,36-37H,5-6,13,15-16H2,1-4H3,(H,31,38)(H,32,39)/b12-11+/t18-,19+,23+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50022815
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230211
(CHEMBL4063126)Show SMILES CC(C)[C@@H]1NC(=O)CCCC\C=C\c2cccc(c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC1=O |r,t:11| Show InChI InChI=1S/C28H40N4O5/c1-18(2)25-26(34)29-19(3)27(35)32-16-10-14-23(31-32)28(36)37-20(4)22-13-9-12-21(17-22)11-7-5-6-8-15-24(33)30-25/h7,9,11-13,17-20,23,25,31H,5-6,8,10,14-16H2,1-4H3,(H,29,34)(H,30,33)/b11-7+/t19-,20+,23-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450020
(CHEMBL4166066)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](OC)[C@H](C)CC\C=C\c1cccc(c1)[C@@H](C)OC2=O)C(C)C |r,t:26| Show InChI InChI=1S/C30H44N4O6/c1-18(2)25-27(35)31-20(4)29(37)34-16-10-15-24(33-34)30(38)40-21(5)23-14-9-13-22(17-23)12-8-7-11-19(3)26(39-6)28(36)32-25/h8-9,12-14,17-21,24-26,33H,7,10-11,15-16H2,1-6H3,(H,31,35)(H,32,36)/b12-8+/t19-,20+,21-,24+,25+,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450021
(CHEMBL4165935)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CC\C=C\c1cc3cc(ccc3cn1)[C@@H](C)OC2=O)C(C)C |r,t:21| Show InChI InChI=1S/C29H37N5O5/c1-17(2)26-27(36)31-18(3)28(37)34-13-7-9-24(33-34)29(38)39-19(4)20-11-12-21-16-30-23(15-22(21)14-20)8-5-6-10-25(35)32-26/h5,8,11-12,14-19,24,26,33H,6-7,9-10,13H2,1-4H3,(H,31,36)(H,32,35)/b8-5+/t18-,19+,24-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450022
(CHEMBL4170426)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCC\C=C\c1cc3cc(ccc3cn1)[C@@H](C)OC2=O)C(C)C |r,t:22| Show InChI InChI=1S/C30H39N5O5/c1-18(2)27-28(37)32-19(3)29(38)35-14-8-10-25(34-35)30(39)40-20(4)21-12-13-22-17-31-24(16-23(22)15-21)9-6-5-7-11-26(36)33-27/h6,9,12-13,15-20,25,27,34H,5,7-8,10-11,14H2,1-4H3,(H,32,37)(H,33,36)/b9-6+/t19-,20+,25-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450023
(CHEMBL4167017)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C\C=C\c1cc3cc(ccc3cn1)[C@@H](C)OC2=O)C(C)C |r,t:20| Show InChI InChI=1S/C28H35N5O5/c1-16(2)25-26(35)30-17(3)27(36)33-12-6-8-23(32-33)28(37)38-18(4)19-10-11-20-15-29-22(14-21(20)13-19)7-5-9-24(34)31-25/h5,7,10-11,13-18,23,25,32H,6,8-9,12H2,1-4H3,(H,30,35)(H,31,34)/b7-5+/t17-,18+,23-,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
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450024
(CHEMBL4159110)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCCc1cc3cc(ccc3cn1)[C@@H](C)OC2=O)C(C)C |r| Show InChI InChI=1S/C28H37N5O5/c1-16(2)25-26(35)30-17(3)27(36)33-12-6-8-23(32-33)28(37)38-18(4)19-10-11-20-15-29-22(14-21(20)13-19)7-5-9-24(34)31-25/h10-11,13-18,23,25,32H,5-9,12H2,1-4H3,(H,30,35)(H,31,34)/t17-,18+,23-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450025
(CHEMBL4163568)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C\C=C\c1ccc3ccc(cc3c1)[C@@H](C)OC2=O)C(C)C |r,t:20| Show InChI InChI=1S/C29H36N4O5/c1-17(2)26-27(35)30-18(3)28(36)33-14-6-8-24(32-33)29(37)38-19(4)22-13-12-21-11-10-20(15-23(21)16-22)7-5-9-25(34)31-26/h5,7,10-13,15-19,24,26,32H,6,8-9,14H2,1-4H3,(H,30,35)(H,31,34)/b7-5+/t18-,19+,24-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450026
(CHEMBL4168950)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(C)(C)\C=C\c1ccc3ccc(nc3c1)[C@@H](C)OC2=O)C(C)C |r,t:22| Show InChI InChI=1S/C30H39N5O5/c1-17(2)25-26(36)31-18(3)27(37)35-15-7-8-23(34-35)28(38)40-19(4)22-12-11-21-10-9-20(16-24(21)32-22)13-14-30(5,6)29(39)33-25/h9-14,16-19,23,25,34H,7-8,15H2,1-6H3,(H,31,36)(H,33,39)/b14-13+/t18-,19+,23-,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
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450027
(CHEMBL4161025)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(C)(C)\C=C\c1cc3cc(ccc3cn1)[C@@H](C)OC2=O)C(C)C |r,t:22| Show InChI InChI=1S/C30H39N5O5/c1-17(2)25-26(36)32-18(3)27(37)35-13-7-8-24(34-35)28(38)40-19(4)20-9-10-21-16-31-23(15-22(21)14-20)11-12-30(5,6)29(39)33-25/h9-12,14-19,24-25,34H,7-8,13H2,1-6H3,(H,32,36)(H,33,39)/b12-11+/t18-,19+,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450028
(CHEMBL4173004)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](OC(=O)C(C)(C)\C=C\c1ccc3ccc(nc3c1)[C@@H](C)NC2=O)C(C)C |r,t:22| Show InChI InChI=1S/C30H39N5O5/c1-17(2)25-27(37)32-19(4)28(38)35-15-7-8-23(34-35)26(36)31-18(3)22-12-11-21-10-9-20(16-24(21)33-22)13-14-30(5,6)29(39)40-25/h9-14,16-19,23,25,34H,7-8,15H2,1-6H3,(H,31,36)(H,32,37)/b14-13+/t18-,19+,23+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450029
(CHEMBL4165103)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](OC(=O)C(C)(C)\C=C\c1cc3cc(ccc3cn1)[C@@H](C)NC2=O)C(C)C |r,t:22| Show InChI InChI=1S/C30H39N5O5/c1-17(2)25-27(37)33-19(4)28(38)35-13-7-8-24(34-35)26(36)32-18(3)20-9-10-21-16-31-23(15-22(21)14-20)11-12-30(5,6)29(39)40-25/h9-12,14-19,24-25,34H,7-8,13H2,1-6H3,(H,32,36)(H,33,37)/b12-11+/t18-,19+,24+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450030
(CHEMBL4176386)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](OC(=O)C1(COCOC1)\C=C\c1ccc3ccc(nc3c1)[C@@H](C)NC2=O)C(C)C |r,t:26| Show InChI InChI=1S/C31H39N5O7/c1-18(2)26-28(38)33-20(4)29(39)36-13-5-6-24(35-36)27(37)32-19(3)23-10-9-22-8-7-21(14-25(22)34-23)11-12-31(30(40)43-26)15-41-17-42-16-31/h7-12,14,18-20,24,26,35H,5-6,13,15-17H2,1-4H3,(H,32,37)(H,33,38)/b12-11+/t19-,20+,24+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450031
(CHEMBL4161280)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](OC(=O)C1(CCC(O)CC1)\C=C\c1ccc3ccc(nc3c1)[C@@H](C)NC2=O)C(C)C |r,wU:14.46,9.10,wD:37.41,1.0,t:27,(61.85,-27.06,;63.21,-27.84,;61.88,-28.61,;61.88,-30.15,;63.21,-30.9,;64.54,-30.15,;64.54,-28.61,;65.87,-30.91,;67.19,-30.15,;65.86,-32.45,;64.53,-33.22,;67.19,-33.22,;68.52,-32.46,;68.52,-30.92,;69.85,-33.23,;71.17,-32.46,;73.84,-27.84,;75.19,-28.61,;73.83,-26.29,;75.18,-27.07,;76.52,-26.3,;76.53,-24.75,;77.88,-23.97,;75.18,-23.97,;73.83,-24.74,;72.51,-25.53,;72.51,-23.99,;71.27,-23.22,;71.26,-21.65,;69.91,-20.88,;68.57,-21.67,;67.22,-20.89,;65.88,-21.67,;65.88,-23.23,;67.23,-24.01,;68.57,-23.23,;69.92,-24,;64.54,-23.99,;63.21,-23.24,;64.54,-25.53,;63.21,-26.3,;61.88,-25.53,;69.85,-34.77,;71.17,-35.53,;68.51,-35.52,)| Show InChI InChI=1S/C33H43N5O6/c1-19(2)28-30(41)35-21(4)31(42)38-17-5-6-26(37-38)29(40)34-20(3)25-10-9-23-8-7-22(18-27(23)36-25)11-14-33(32(43)44-28)15-12-24(39)13-16-33/h7-11,14,18-21,24,26,28,37,39H,5-6,12-13,15-17H2,1-4H3,(H,34,40)(H,35,41)/b14-11+/t20-,21+,24?,26+,28+,33?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450031
(CHEMBL4161280)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](OC(=O)C1(CCC(O)CC1)\C=C\c1ccc3ccc(nc3c1)[C@@H](C)NC2=O)C(C)C |r,wU:14.46,9.10,wD:37.41,1.0,t:27,(61.85,-27.06,;63.21,-27.84,;61.88,-28.61,;61.88,-30.15,;63.21,-30.9,;64.54,-30.15,;64.54,-28.61,;65.87,-30.91,;67.19,-30.15,;65.86,-32.45,;64.53,-33.22,;67.19,-33.22,;68.52,-32.46,;68.52,-30.92,;69.85,-33.23,;71.17,-32.46,;73.84,-27.84,;75.19,-28.61,;73.83,-26.29,;75.18,-27.07,;76.52,-26.3,;76.53,-24.75,;77.88,-23.97,;75.18,-23.97,;73.83,-24.74,;72.51,-25.53,;72.51,-23.99,;71.27,-23.22,;71.26,-21.65,;69.91,-20.88,;68.57,-21.67,;67.22,-20.89,;65.88,-21.67,;65.88,-23.23,;67.23,-24.01,;68.57,-23.23,;69.92,-24,;64.54,-23.99,;63.21,-23.24,;64.54,-25.53,;63.21,-26.3,;61.88,-25.53,;69.85,-34.77,;71.17,-35.53,;68.51,-35.52,)| Show InChI InChI=1S/C33H43N5O6/c1-19(2)28-30(41)35-21(4)31(42)38-17-5-6-26(37-38)29(40)34-20(3)25-10-9-23-8-7-22(18-27(23)36-25)11-14-33(32(43)44-28)15-12-24(39)13-16-33/h7-11,14,18-21,24,26,28,37,39H,5-6,12-13,15-17H2,1-4H3,(H,34,40)(H,35,41)/b14-11+/t20-,21+,24?,26+,28+,33?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450032
(CHEMBL4171881)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](OC(=O)[C@]1(CC[C@@H](CC1)OC)\C=C\c1ccc3ccc(nc3c1)[C@@H](C)NC2=O)C(C)C |r,wU:18.18,14.47,9.10,wD:38.42,1.0,21.25,t:28,(79.03,-29.05,;80.38,-29.83,;79.06,-30.6,;79.06,-32.14,;80.38,-32.89,;81.7,-32.14,;81.7,-30.6,;83.03,-32.9,;84.36,-32.14,;83.03,-34.44,;81.69,-35.2,;84.35,-35.2,;85.68,-34.44,;85.68,-32.91,;87,-35.21,;88.32,-34.45,;90.99,-29.83,;92.34,-30.61,;90.98,-28.29,;90.98,-26.75,;92.33,-25.97,;93.67,-26.75,;93.66,-28.3,;92.33,-29.07,;95.02,-25.97,;96.37,-26.76,;89.67,-27.53,;89.67,-26,;88.43,-25.22,;88.42,-23.66,;87.07,-22.89,;85.73,-23.67,;84.39,-22.9,;83.04,-23.68,;83.04,-25.24,;84.39,-26.01,;85.74,-25.23,;87.08,-26,;81.7,-26,;80.38,-25.24,;81.7,-27.53,;80.38,-28.3,;79.05,-27.53,;87,-36.75,;88.32,-37.5,;85.68,-37.5,)| Show InChI InChI=1S/C34H45N5O6/c1-20(2)29-31(41)36-22(4)32(42)39-18-6-7-27(38-39)30(40)35-21(3)26-11-10-24-9-8-23(19-28(24)37-26)12-15-34(33(43)45-29)16-13-25(44-5)14-17-34/h8-12,15,19-22,25,27,29,38H,6-7,13-14,16-18H2,1-5H3,(H,35,40)(H,36,41)/b15-12+/t21-,22+,25-,27+,29+,34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450033
(CHEMBL4164700)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](OC(=O)C1(CCOCC1)\C=C\c1ccc3ccc(nc3c1)[C@@H](C)NC2=O)C(C)C |r,t:26| Show InChI InChI=1S/C32H41N5O6/c1-19(2)27-29(39)34-21(4)30(40)37-15-5-6-25(36-37)28(38)33-20(3)24-10-9-23-8-7-22(18-26(23)35-24)11-12-32(31(41)43-27)13-16-42-17-14-32/h7-12,18-21,25,27,36H,5-6,13-17H2,1-4H3,(H,33,38)(H,34,39)/b12-11+/t20-,21+,25+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450034
(CHEMBL4175329)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](OC(=O)C1(CCS(=O)(=O)CC1)\C=C\c1ccc3ccc(nc3c1)[C@@H](C)NC2=O)C(C)C |r,t:28| Show InChI InChI=1S/C32H41N5O7S/c1-19(2)27-29(39)34-21(4)30(40)37-15-5-6-25(36-37)28(38)33-20(3)24-10-9-23-8-7-22(18-26(23)35-24)11-12-32(31(41)44-27)13-16-45(42,43)17-14-32/h7-12,18-21,25,27,36H,5-6,13-17H2,1-4H3,(H,33,38)(H,34,39)/b12-11+/t20-,21+,25+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450035
(CHEMBL4159376)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](OC(=O)C1(COCCOC1)\C=C\c1ccc3ccc(nc3c1)[C@@H](C)NC2=O)C(C)C |r,t:27| Show InChI InChI=1S/C32H41N5O7/c1-19(2)27-29(39)34-21(4)30(40)37-13-5-6-25(36-37)28(38)33-20(3)24-10-9-23-8-7-22(16-26(23)35-24)11-12-32(31(41)44-27)17-42-14-15-43-18-32/h7-12,16,19-21,25,27,36H,5-6,13-15,17-18H2,1-4H3,(H,33,38)(H,34,39)/b12-11+/t20-,21+,25+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230210
(CHEMBL4090107)Show SMILES CO[C@H]1\C=C\C=C\CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](OC)[C@H]1C)C(C)C |r,t:3,5| Show InChI InChI=1S/C34H50N4O8/c1-21(2)29-32(41)35-27(20-24-13-11-14-25(39)19-24)33(42)38-17-12-15-26(37-38)34(43)46-18-10-8-7-9-16-28(44-5)22(3)30(45-6)23(4)31(40)36-29/h7-9,11,13-14,16,19,21-23,26-30,37,39H,10,12,15,17-18,20H2,1-6H3,(H,35,41)(H,36,40)/b8-7+,16-9+/t22-,23+,26-,27-,28-,29-,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230294
(CHEMBL4071740)Show SMILES CO[C@@H]1CC\C=C\c2cccc(c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C |r,t:5| Show InChI InChI=1S/C36H48N4O7/c1-22(2)32-34(43)37-30(21-26-13-9-15-28(41)20-26)35(44)40-18-10-16-29(39-40)36(45)47-24(4)27-14-8-12-25(19-27)11-6-7-17-31(46-5)23(3)33(42)38-32/h6,8-9,11-15,19-20,22-24,29-32,39,41H,7,10,16-18,21H2,1-5H3,(H,37,43)(H,38,42)/b11-6+/t23-,24-,29+,30+,31-,32+/m1/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
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50022815
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230209
(CHEMBL4100272)Show SMILES CO[C@@H]1CC\C=C\C=C\CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C |r,t:5,7| Show InChI InChI=1S/C32H46N4O7/c1-21(2)28-30(39)33-26(20-23-13-11-14-24(37)19-23)31(40)36-17-12-15-25(35-36)32(41)43-18-10-8-6-5-7-9-16-27(42-4)22(3)29(38)34-28/h5-8,11,13-14,19,21-22,25-28,35,37H,9-10,12,15-18,20H2,1-4H3,(H,33,39)(H,34,38)/b7-5+,8-6+/t22-,25+,26+,27-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230293
(CHEMBL4082253)Show SMILES CC(C)[C@@H]1NC(=O)CCCC\C=C\C=C\CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC1=O |r,t:11,13| Show InChI InChI=1S/C30H42N4O6/c1-21(2)27-28(37)31-25(20-22-13-11-14-23(35)19-22)29(38)34-17-12-15-24(33-34)30(39)40-18-10-8-6-4-3-5-7-9-16-26(36)32-27/h3-4,6,8,11,13-14,19,21,24-25,27,33,35H,5,7,9-10,12,15-18,20H2,1-2H3,(H,31,37)(H,32,36)/b4-3+,8-6+/t24-,25-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230213
(CHEMBL4092526)Show SMILES CO[C@@H]1CC\C=C\c2cccc(COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(O)c3)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C)c2 |r,t:5| Show InChI InChI=1S/C35H46N4O7/c1-22(2)31-33(42)36-29(20-25-12-8-14-27(40)19-25)34(43)39-17-9-15-28(38-39)35(44)46-21-26-13-7-11-24(18-26)10-5-6-16-30(45-4)23(3)32(41)37-31/h5,7-8,10-14,18-19,22-23,28-31,38,40H,6,9,15-17,20-21H2,1-4H3,(H,36,42)(H,37,41)/b10-5+/t23-,28+,29+,30-,31+/m1/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
| n/a | n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230212
(CHEMBL4084776)Show SMILES CO[C@@H]1CC\C=C\c2cccc(c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C |r,t:5| Show InChI InChI=1S/C30H44N4O6/c1-18(2)26-28(36)31-20(4)29(37)34-16-10-14-24(33-34)30(38)40-21(5)23-13-9-12-22(17-23)11-7-8-15-25(39-6)19(3)27(35)32-26/h7,9,11-13,17-21,24-26,33H,8,10,14-16H2,1-6H3,(H,31,36)(H,32,35)/b11-7+/t19-,20+,21-,24+,25-,26+/m1/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
| n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230211
(CHEMBL4063126)Show SMILES CC(C)[C@@H]1NC(=O)CCCC\C=C\c2cccc(c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC1=O |r,t:11| Show InChI InChI=1S/C28H40N4O5/c1-18(2)25-26(34)29-19(3)27(35)32-16-10-14-23(31-32)28(36)37-20(4)22-13-9-12-21(17-22)11-7-5-6-8-15-24(33)30-25/h7,9,11-13,17-20,23,25,31H,5-6,8,10,14-16H2,1-4H3,(H,29,34)(H,30,33)/b11-7+/t19-,20+,23-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50218665
(SANGLIFEHRIN A)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H](NC(=O)[C@H](CCC(C)=O)[C@H](O)[C@@H](C)[C@@H](O)\C=C\C=C\C[C@H](OC2=O)C(\C)=C\C=C\CC[C@H](C)[C@@H](O)C[C@@H]1O[C@@]2(NC(=O)[C@@H](CC)C[C@@H]2C)[C@@H](C)[C@@H](O)[C@H]1C)C(C)C |r,t:39,41| Show InChI InChI=1S/C60H91N5O13/c1-11-43-30-37(6)60(63-55(43)72)41(10)53(70)40(9)51(78-60)33-49(69)35(4)20-14-12-15-21-36(5)50-26-17-13-16-25-48(68)39(8)54(71)45(28-27-38(7)66)56(73)62-52(34(2)3)57(74)61-47(32-42-22-18-23-44(67)31-42)58(75)65-29-19-24-46(64-65)59(76)77-50/h12-13,15-18,21-23,25,31,34-35,37,39-41,43,45-54,64,67-71H,11,14,19-20,24,26-30,32-33H2,1-10H3,(H,61,74)(H,62,73)(H,63,72)/b15-12+,17-13+,25-16+,36-21+/t35-,37-,39-,40-,41-,43-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54+,60+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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