Found 11 hits of Enzyme Inhibition Constant Data 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)) | BDBM50500613
(CHEMBL3752642)Show SMILES COc1cc(cc(OC)c1OC)C(N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(cc1)C(C)C)C(=O)NC1CCCCC1 Show InChI InChI=1S/C36H43N3O5/c1-23(2)24-15-17-28(18-16-24)39(33(40)21-26-22-37-30-14-10-9-13-29(26)30)34(36(41)38-27-11-7-6-8-12-27)25-19-31(42-3)35(44-5)32(20-25)43-4/h9-10,13-20,22-23,27,34,37H,6-8,11-12,21H2,1-5H3,(H,38,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chonnam National University
Curated by ChEMBL
| Assay Description
Inhibition of Cyclophilin A peptidyl-prolyl cis-trans isomerase activity (unknown origin) using Succ-Ala-Leu-Pro-Phe-p-nitroaniline as substrate by I... |
J Med Chem 58: 9546-61 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01064
BindingDB Entry DOI: 10.7270/Q2RF5Z1V |
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 | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chonnam National University
Curated by ChEMBL
| Assay Description
Inhibition of Cyclophilin A peptidyl-prolyl cis-trans isomerase activity (unknown origin) using Succ-Ala-Leu-Pro-Phe-p-nitroaniline as substrate by I... |
J Med Chem 58: 9546-61 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01064
BindingDB Entry DOI: 10.7270/Q2RF5Z1V |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50500614
(CHEMBL3754544)Show SMILES COc1ccc(CCC(=O)N(C(C(=O)NC2CCCCC2)c2ccc(cc2)[N+]([O-])=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C30H32BrN3O5/c1-39-27-18-7-21(8-19-27)9-20-28(35)33(25-16-12-23(31)13-17-25)29(22-10-14-26(15-11-22)34(37)38)30(36)32-24-5-3-2-4-6-24/h7-8,10-19,24,29H,2-6,9,20H2,1H3,(H,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Chonnam National University
Curated by ChEMBL
| Assay Description
Inhibition of Cyclophilin A peptidyl-prolyl cis-trans isomerase activity (unknown origin) using Succ-Ala-Leu-Pro-Phe-p-nitroaniline as substrate by I... |
J Med Chem 58: 9546-61 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01064
BindingDB Entry DOI: 10.7270/Q2RF5Z1V |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50500613
(CHEMBL3752642)Show SMILES COc1cc(cc(OC)c1OC)C(N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(cc1)C(C)C)C(=O)NC1CCCCC1 Show InChI InChI=1S/C36H43N3O5/c1-23(2)24-15-17-28(18-16-24)39(33(40)21-26-22-37-30-14-10-9-13-29(26)30)34(36(41)38-27-11-7-6-8-12-27)25-19-31(42-3)35(44-5)32(20-25)43-4/h9-10,13-20,22-23,27,34,37H,6-8,11-12,21H2,1-5H3,(H,38,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a |
Chonnam National University
Curated by ChEMBL
| Assay Description
Binding affinity to Cyclophilin A (unknown origin) at 0.625 nM to 10 uM by surface plasmon resonance analysis |
J Med Chem 58: 9546-61 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01064
BindingDB Entry DOI: 10.7270/Q2RF5Z1V |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50500613
(CHEMBL3752642)Show SMILES COc1cc(cc(OC)c1OC)C(N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(cc1)C(C)C)C(=O)NC1CCCCC1 Show InChI InChI=1S/C36H43N3O5/c1-23(2)24-15-17-28(18-16-24)39(33(40)21-26-22-37-30-14-10-9-13-29(26)30)34(36(41)38-27-11-7-6-8-12-27)25-19-31(42-3)35(44-5)32(20-25)43-4/h9-10,13-20,22-23,27,34,37H,6-8,11-12,21H2,1-5H3,(H,38,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a |
Chonnam National University
Curated by ChEMBL
| Assay Description
Binding affinity to Cyclophilin A (unknown origin) by surface plasmon resonance analysis |
J Med Chem 58: 9546-61 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01064
BindingDB Entry DOI: 10.7270/Q2RF5Z1V |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(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 | 5.80 | n/a | n/a | n/a | n/a | n/a |
Chonnam National University
Curated by ChEMBL
| Assay Description
Binding affinity to Cyclophilin B (unknown origin) by surface plasmon resonance analysis |
J Med Chem 58: 9546-61 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01064
BindingDB Entry DOI: 10.7270/Q2RF5Z1V |
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 | 2.5 | n/a | n/a | n/a | n/a | n/a |
Chonnam National University
Curated by ChEMBL
| Assay Description
Binding affinity to Cyclophilin A (unknown origin) by surface plasmon resonance analysis |
J Med Chem 58: 9546-61 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01064
BindingDB Entry DOI: 10.7270/Q2RF5Z1V |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50500613
(CHEMBL3752642)Show SMILES COc1cc(cc(OC)c1OC)C(N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(cc1)C(C)C)C(=O)NC1CCCCC1 Show InChI InChI=1S/C36H43N3O5/c1-23(2)24-15-17-28(18-16-24)39(33(40)21-26-22-37-30-14-10-9-13-29(26)30)34(36(41)38-27-11-7-6-8-12-27)25-19-31(42-3)35(44-5)32(20-25)43-4/h9-10,13-20,22-23,27,34,37H,6-8,11-12,21H2,1-5H3,(H,38,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a |
Chonnam National University
Curated by ChEMBL
| Assay Description
Binding affinity to Cyclophilin B (unknown origin) at 10 to 30 uM by surface plasmon resonance analysis |
J Med Chem 58: 9546-61 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01064
BindingDB Entry DOI: 10.7270/Q2RF5Z1V |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50500613
(CHEMBL3752642)Show SMILES COc1cc(cc(OC)c1OC)C(N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(cc1)C(C)C)C(=O)NC1CCCCC1 Show InChI InChI=1S/C36H43N3O5/c1-23(2)24-15-17-28(18-16-24)39(33(40)21-26-22-37-30-14-10-9-13-29(26)30)34(36(41)38-27-11-7-6-8-12-27)25-19-31(42-3)35(44-5)32(20-25)43-4/h9-10,13-20,22-23,27,34,37H,6-8,11-12,21H2,1-5H3,(H,38,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a |
Chonnam National University
Curated by ChEMBL
| Assay Description
Binding affinity to Cyclophilin B (unknown origin) at 10 to 30 uM by surface plasmon resonance analysis |
J Med Chem 58: 9546-61 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01064
BindingDB Entry DOI: 10.7270/Q2RF5Z1V |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50500613
(CHEMBL3752642)Show SMILES COc1cc(cc(OC)c1OC)C(N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(cc1)C(C)C)C(=O)NC1CCCCC1 Show InChI InChI=1S/C36H43N3O5/c1-23(2)24-15-17-28(18-16-24)39(33(40)21-26-22-37-30-14-10-9-13-29(26)30)34(36(41)38-27-11-7-6-8-12-27)25-19-31(42-3)35(44-5)32(20-25)43-4/h9-10,13-20,22-23,27,34,37H,6-8,11-12,21H2,1-5H3,(H,38,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a |
Chonnam National University
Curated by ChEMBL
| Assay Description
Binding affinity to Cyclophilin A (unknown origin) at 0.625 nM to 10 uM by surface plasmon resonance analysis |
J Med Chem 58: 9546-61 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01064
BindingDB Entry DOI: 10.7270/Q2RF5Z1V |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50500613
(CHEMBL3752642)Show SMILES COc1cc(cc(OC)c1OC)C(N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(cc1)C(C)C)C(=O)NC1CCCCC1 Show InChI InChI=1S/C36H43N3O5/c1-23(2)24-15-17-28(18-16-24)39(33(40)21-26-22-37-30-14-10-9-13-29(26)30)34(36(41)38-27-11-7-6-8-12-27)25-19-31(42-3)35(44-5)32(20-25)43-4/h9-10,13-20,22-23,27,34,37H,6-8,11-12,21H2,1-5H3,(H,38,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a |
Chonnam National University
Curated by ChEMBL
| Assay Description
Binding affinity to Cyclophilin B (unknown origin) by surface plasmon resonance analysis |
J Med Chem 58: 9546-61 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01064
BindingDB Entry DOI: 10.7270/Q2RF5Z1V |
More data for this
Ligand-Target Pair | |
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