BDBM217395 CLTERHKILHR(Hse(C4F9))LQE::Leu12Hse(C4F9)
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI Key:
Data: 1 Kd
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Estradiol-bound ERα LBD (Homo sapiens (Human)) | BDBM217395 (CLTERHKILHR(Hse(C4F9))LQE | Leu12Hse(C4F9)) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | 7.4 | 25 |
University of Delaware | Assay Description Peptides and the ERα LBD were diluted in 1× PBS buffer [140 mM NaCl, 2.7 mM KCl, 10 mM K2HPO4, and 2 mM KH2PO4 (pH 7.4)]. Peptide concentrations... | Biochemistry 56: 1062-1074 (2017) Article DOI: 10.1021/acs.biochem.6b01020 BindingDB Entry DOI: 10.7270/Q23B5Z0G | |||||||||||
More data for this Ligand-Target Pair |