BDBM228840 PTHRct-8::QEEWETVM

SMILES: CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(C)C)C(O)=O

InChI Key:

Data: 2 Kd  2 ITC

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 228840   

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
Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ2) (Homo sapiens (Human))	BDBM228840 (PTHRct-8 | QEEWETVM) Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(C)C)C(O)=O |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.70E+3	n/a	n/a	n/a	8.0	25
The University of Queensland					Assay Description ITC measurements were conducted on a Microcal iTC200 (Malvern Instruments) in buffer consisting of 25 mM Tris (pH 8.0) and 100 mM NaCl. Proteins were...				Biochemistry 56: 2584-2593 (2017) Article DOI: 10.1021/acs.biochem.7b00078 BindingDB Entry DOI: 10.7270/Q2QV3KD9
					More data for this Ligand-Target Pair
Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ1) (Homo sapiens (Human))	BDBM228840 (PTHRct-8 | QEEWETVM) Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(C)C)C(O)=O |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.17E+4	n/a	n/a	n/a	8.0	25
The University of Queensland					Assay Description ITC measurements were conducted on a Microcal iTC200 (Malvern Instruments) in buffer consisting of 25 mM Tris (pH 8.0) and 100 mM NaCl. Proteins were...				Biochemistry 56: 2584-2593 (2017) Article DOI: 10.1021/acs.biochem.7b00078 BindingDB Entry DOI: 10.7270/Q2QV3KD9
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 228840

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ1) (Homo sapiens (Human))	BDBM228840 (PTHRct-8 | QEEWETVM)	GoogleScholar PDB	PC cid PC sid		-6.69	3.85	-10.6	7.93	8	25
The University of Queensland					Biochemistry 56: 2584-2593 (2017)
Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ2) (Homo sapiens (Human))	BDBM228840 (PTHRct-8 | QEEWETVM)	GoogleScholar PDB	PC cid PC sid		-6.93	14.7	-21.6	8.01	8	25
The University of Queensland					Biochemistry 56: 2584-2593 (2017)