Marvin 2D Structure

Wt: 935.0 BDBM228843

Wt: 993.0 BDBM228841

Wt: 993.0 BDBM228842

Wt: 993.0 BDBM228844

Wt: 1051.1 BDBM228840

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 [133-300] (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 UniProtKB/SwissProt 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(+) exchange regulatory cofactor NHE-RF1 [1-140] (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 UniProtKB/SwissProt 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 (change energy unit to kcal/mol)

Found 10 hits in this search

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ2) (Homo sapiens (Human))	BDBM228840 (PTHRct-8 | QEEWETVM)	GoogleScholar PDB	PC cid PC sid		-29	61.4	-90.4	8.01	8	25
The University of Queensland					Biochemistry 56: 2584-2593 (2017)
Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ1) (Homo sapiens (Human))	BDBM228841 (PTHRct-8 mutant (QAEWETVM) | QAEWETVM)	GoogleScholar PDB	PC cid PC sid		-28	-10.1	-18	7.88	8	25
The University of Queensland					Biochemistry 56: 2584-2593 (2017)
Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ1) (Homo sapiens (Human))	BDBM228840 (PTHRct-8 | QEEWETVM)	GoogleScholar PDB	PC cid PC sid		-28	16.1	-44.4	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))	BDBM228841 (PTHRct-8 mutant (QAEWETVM) | QAEWETVM)	GoogleScholar PDB	PC cid PC sid		-27	6.56	-34	7.74	8	25
The University of Queensland					Biochemistry 56: 2584-2593 (2017)
Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ2) (Homo sapiens (Human))	BDBM228844 (PTHRct-8 mutant (QEEWATVM) | QEEWATVM)	GoogleScholar PDB	PC cid PC sid		-26	10.1	-36	7.45	8	25
The University of Queensland					Biochemistry 56: 2584-2593 (2017)
Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ1) (Homo sapiens (Human))	BDBM228844 (PTHRct-8 mutant (QEEWATVM) | QEEWATVM)	GoogleScholar PDB	PC cid PC sid		-26	10.1	-36	7.47	8	25
The University of Queensland					Biochemistry 56: 2584-2593 (2017)
Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ2) (Homo sapiens (Human))	BDBM228842 (PTHRct-8 mutant (QEAWETVM) | QEAWETVM)	GoogleScholar PDB	PC cid PC sid		-26	17.0	-43.1	7.57	8	25
The University of Queensland					Biochemistry 56: 2584-2593 (2017)
Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ1) (Homo sapiens (Human))	BDBM228843 (PTHRct-8 mutant (QAAWETVM) | QAAWETVM)	GoogleScholar PDB	PC cid PC sid		-26	-10.1	-15.9	7.61	8	25
The University of Queensland					Biochemistry 56: 2584-2593 (2017)
Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ1) (Homo sapiens (Human))	BDBM228842 (PTHRct-8 mutant (QEAWETVM) | QEAWETVM)	GoogleScholar PDB	PC cid PC sid		-26	5.37	-32	7.59	8	25
The University of Queensland					Biochemistry 56: 2584-2593 (2017)
Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ2) (Homo sapiens (Human))	BDBM228843 (PTHRct-8 mutant (QAAWETVM) | QAAWETVM)	GoogleScholar PDB	PC cid PC sid		-24	5.96	-30	7.24	8	25
The University of Queensland					Biochemistry 56: 2584-2593 (2017)