Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Na+/H+ exchanger regulatory factor-1 PDZ domain (PDZ1)'   

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 [1-140] (Homo sapiens (Human))	BDBM228845 (FITC-LQEEWETVM | FITC-PTHRct9) 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](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)[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	400	n/a	n/a	n/a	6.4	23
The University of Queensland					Assay Description Competition assays were performed in FP buffer (DTT was avoided for Cys-PTHRct-9) containing fixed concentrations of both the fluorescently labeled p...				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))	BDBM228845 (FITC-LQEEWETVM | FITC-PTHRct9) 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](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)[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	1.00E+3	n/a	n/a	n/a	7.0	23
The University of Queensland					Assay Description Competition assays were performed in FP buffer (DTT was avoided for Cys-PTHRct-9) containing fixed concentrations of both the fluorescently labeled p...				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))	BDBM228836 (LQEEWETVM | PTHRct-9) 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](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C)[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	1.40E+3	-33.2	n/a	n/a	n/a	n/a	n/a	7.4	23
The University of Queensland					Assay Description Competition assays were performed in FP buffer (DTT was avoided for Cys-PTHRct-9) containing fixed concentrations of both the fluorescently labeled p...				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))	BDBM228838 (Cys-PTHRct-9 | LQEEWECVM) Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)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](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.10E+4	-28.1	n/a	n/a	n/a	n/a	n/a	7.4	23
The University of Queensland					Assay Description Competition assays were performed in FP buffer (DTT was avoided for Cys-PTHRct-9) containing fixed concentrations of both the fluorescently labeled p...				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))	BDBM228837 (LQEEWETVM (phosphorylated Thr) | PTHR-p-Thrct-9) 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](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)OP([O-])([O-])=O)C(C)C)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.21E+5	-22.2	n/a	n/a	n/a	n/a	n/a	7.4	23
The University of Queensland					Assay Description Competition assays were performed in FP buffer (DTT was avoided for Cys-PTHRct-9) containing fixed concentrations of both the fluorescently labeled p...				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))	BDBM228845 (FITC-LQEEWETVM | FITC-PTHRct9) 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](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)[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	4.70E+3	n/a	n/a	n/a	7.4	23
The University of Queensland					Assay Description Competition assays were performed in FP buffer (DTT was avoided for Cys-PTHRct-9) containing fixed concentrations of both the fluorescently labeled p...				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))	BDBM228839 (b-PTHRct-22 | biotin-DEEASCPERPPALLQEEWETVM) 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](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[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	1.60E+4	n/a	n/a	n/a	7.4	15
The University of Queensland					Assay Description SPR measurements were performed with a Biacore X100 instrument (GE Healthcare Life Sciences, Piscataway, NJ) at 15.0 °C. The biotinylated PTHRct-...				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))	BDBM228845 (FITC-LQEEWETVM | FITC-PTHRct9) 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](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)[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	1.00E+3	n/a	n/a	n/a	7.4	23
The University of Queensland					Assay Description Competition assays were performed in FP buffer (DTT was avoided for Cys-PTHRct-9) containing fixed concentrations of both the fluorescently labeled p...				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