Found 3 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)) | BDBM50037809
((R)-30-Ethyl-33-((E)-(1R,2R)-1-hydroxy-2-methyl-he...)Show SMILES [H][C@@]1([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](C[C@@H](C)CC)N(C)C(=O)CN(C)C(=O)C(CC)NC1=O)C(C)C Show InChI InChI=1S/C63H113N11O12/c1-25-28-29-41(15)53(76)52-57(80)66-44(27-3)59(82)68(18)34-49(75)69(19)46(33-40(14)26-2)56(79)67-50(38(10)11)62(85)70(20)45(30-35(4)5)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(31-36(6)7)60(83)72(22)48(32-37(8)9)61(84)73(23)51(39(12)13)63(86)74(52)24/h25,28,35-48,50-53,76H,26-27,29-34H2,1-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-25+/t40-,41+,42-,43+,44?,45-,46-,47-,48-,50-,51-,52-,53+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Sandoz Pharma Ltd.
Curated by ChEMBL
| Assay Description Compound was evaluated for in vitro binding affinity to cyclophilin A (CyP-A) |
J Med Chem 37: 3674-6 (1994)
BindingDB Entry DOI: 10.7270/Q23J3C16 |
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
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Sandoz Pharma Ltd.
Curated by ChEMBL
| Assay Description Compound was evaluated for in vitro binding affinity to cyclophilin A (CyP-A) |
J Med Chem 37: 3674-6 (1994)
BindingDB Entry DOI: 10.7270/Q23J3C16 |
More data for this Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50037808
((S)-30-Ethyl-33-((E)-(1R,2R)-1-hydroxy-2-methyl-he...)Show SMILES CC[C@H](C)C[C@@H]1N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)C([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](NC1=O)C(C)C Show InChI InChI=1S/C63H113N11O12/c1-25-28-29-41(15)53(76)52-57(80)66-44(27-3)59(82)68(18)34-49(75)69(19)46(33-40(14)26-2)56(79)67-50(38(10)11)62(85)70(20)45(30-35(4)5)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(31-36(6)7)60(83)72(22)48(32-37(8)9)61(84)73(23)51(39(12)13)63(86)74(52)24/h25,28,35-48,50-53,76H,26-27,29-34H2,1-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-25+/t40-,41+,42-,43-,44-,45-,46-,47-,48-,50-,51-,52?,53+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Sandoz Pharma Ltd.
Curated by ChEMBL
| Assay Description Compound was evaluated for in vitro binding affinity to cyclophilin A (CyP-A) |
J Med Chem 37: 3674-6 (1994)
BindingDB Entry DOI: 10.7270/Q23J3C16 |
More data for this Ligand-Target Pair | |