Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein phosphatase 3 catalytic subunit alpha' and Ligand = 'BDBM50123742' 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 |
Protein phosphatase 3 catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50123742
(CHEMBL412946 | Cyclosporin A analogue)Show SMILES CC[C@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C(=O)OCSC)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 Show InChI InChI=1S/C64H113N11O14S/c1-25-44-60(84)69(17)33-49(76)70(18)45(29-35(2)3)57(81)68-51(39(10)11)63(87)71(19)46(30-36(4)5)56(80)65-42(15)55(79)66-43(16)59(83)72(20)47(31-37(6)7)61(85)73(21)48(32-38(8)9)62(86)74(22)52(40(12)13)64(88)75(23)53(58(82)67-44)54(78)41(14)27-26-28-50(77)89-34-90-24/h26,28,35-48,51-54,78H,25,27,29-34H2,1-24H3,(H,65,80)(H,66,79)(H,67,82)(H,68,81)/b28-26+/t41-,42-,43+,44-,45+,46-,47+,48+,51+,52-,53+,54-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 348 | n/a | n/a | n/a | n/a | n/a | n/a |
Enanta Pharmaceuticals
Curated by ChEMBL
| Assay Description Compound was evaluated for its inhibitory activity in a calcineurin inhibition assay (morn) |
J Med Chem 46: 674-6 (2003)
Article DOI: 10.1021/jm025595i BindingDB Entry DOI: 10.7270/Q2QJ7GNM |
More data for this Ligand-Target Pair | |
Protein phosphatase 3 catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50123742
(CHEMBL412946 | Cyclosporin A analogue)Show SMILES CC[C@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C(=O)OCSC)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 Show InChI InChI=1S/C64H113N11O14S/c1-25-44-60(84)69(17)33-49(76)70(18)45(29-35(2)3)57(81)68-51(39(10)11)63(87)71(19)46(30-36(4)5)56(80)65-42(15)55(79)66-43(16)59(83)72(20)47(31-37(6)7)61(85)73(21)48(32-38(8)9)62(86)74(22)52(40(12)13)64(88)75(23)53(58(82)67-44)54(78)41(14)27-26-28-50(77)89-34-90-24/h26,28,35-48,51-54,78H,25,27,29-34H2,1-24H3,(H,65,80)(H,66,79)(H,67,82)(H,68,81)/b28-26+/t41-,42-,43+,44-,45+,46-,47+,48+,51+,52-,53+,54-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Enanta Pharmaceuticals
Curated by ChEMBL
| Assay Description Compound was evaluated for its inhibitory activity in a calcineurin inhibition assay (MTM) |
J Med Chem 46: 674-6 (2003)
Article DOI: 10.1021/jm025595i BindingDB Entry DOI: 10.7270/Q2QJ7GNM |
More data for this Ligand-Target Pair | |