Found 2 hits Enz. Inhib. hit(s) with Target = 'Kelch-like ECH-associated protein 1' and Ligand = 'BDBM50200466' 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 |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50200466
(CHEMBL3913014)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSSC[C@H](NC1=O)C(O)=O)NC(C)=O)[C@@H](C)O |r| Show InChI InChI=1S/C54H79N11O21S2/c1-25(2)18-33-47(78)62-36(21-43(74)75)53(84)65-17-7-8-39(65)51(82)58-32(14-16-42(72)73)46(77)64-44(27(5)66)52(83)55-22-40(69)57-31(13-15-41(70)71)45(76)61-35(20-29-9-11-30(68)12-10-29)49(80)59-34(19-26(3)4)48(79)63-38(54(85)86)24-88-87-23-37(50(81)60-33)56-28(6)67/h9-12,25-27,31-39,44,66,68H,7-8,13-24H2,1-6H3,(H,55,83)(H,56,67)(H,57,69)(H,58,82)(H,59,80)(H,60,81)(H,61,76)(H,62,78)(H,63,79)(H,64,77)(H,70,71)(H,72,73)(H,74,75)(H,85,86)/t27-,31+,32+,33+,34+,35+,36+,37+,38+,39+,44+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of Keap1 Kelch domain (unknown origin) interaction with Nrf2 assessed as displacement of FITC-betaAla-DEETGEF-OH from Keap1 Kelch domain b... |
J Med Chem 59: 10837-10858 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00586 BindingDB Entry DOI: 10.7270/Q2377BPQ |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50200466
(CHEMBL3913014)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSSC[C@H](NC1=O)C(O)=O)NC(C)=O)[C@@H](C)O |r| Show InChI InChI=1S/C54H79N11O21S2/c1-25(2)18-33-47(78)62-36(21-43(74)75)53(84)65-17-7-8-39(65)51(82)58-32(14-16-42(72)73)46(77)64-44(27(5)66)52(83)55-22-40(69)57-31(13-15-41(70)71)45(76)61-35(20-29-9-11-30(68)12-10-29)49(80)59-34(19-26(3)4)48(79)63-38(54(85)86)24-88-87-23-37(50(81)60-33)56-28(6)67/h9-12,25-27,31-39,44,66,68H,7-8,13-24H2,1-6H3,(H,55,83)(H,56,67)(H,57,69)(H,58,82)(H,59,80)(H,60,81)(H,61,76)(H,62,78)(H,63,79)(H,64,77)(H,70,71)(H,72,73)(H,74,75)(H,85,86)/t27-,31+,32+,33+,34+,35+,36+,37+,38+,39+,44+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Binding affinity to Keap1 (unknown origin) Kelch domain by ITC assay |
J Med Chem 59: 10837-10858 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00586 BindingDB Entry DOI: 10.7270/Q2377BPQ |
More data for this Ligand-Target Pair | |