Compile Data Set for Download or QSAR

Found 40 hits with non-zero delta_G for polymer = 2242

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
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-60.2	n/a	n/a	n/a	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92921 (Immucillins, 2)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-59.0	n/a	n/a	n/a	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50246593 (7-((1,3-dihydroxypropan-2-ylamino)methyl)-3H-pyrro...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid PDB		-15.5	n/a	n/a	n/a	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92925 (Immucillins, 8)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-15.2	n/a	n/a	n/a	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92923 (Immucillins, 6)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-15.1	n/a	n/a	n/a	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92926 (Immucillins, 9)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-13.5	n/a	n/a	n/a	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92929 (Immucillins, 13)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-13.5	n/a	n/a	n/a	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92922 (Immucillins, 3)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-13.3	n/a	n/a	n/a	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92927 (Immucillins, 11)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-12.9	n/a	n/a	n/a	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92924 (Immucillins, 7)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-12.9	n/a	n/a	n/a	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50293064 (7-({[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]am...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-12.6	n/a	n/a	9.25	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50252909 ((3R,4R)-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fluo...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-12.0	n/a	n/a	8.80	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50330392 (7-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[3,2-d]pyrimid...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-11.3	n/a	n/a	8.29	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92921 (Immucillins, 2)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-10.9	n/a	n/a	7.99	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92932 (Immucillins, 17)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid PDB		-10.9	n/a	n/a	7.99	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92931 (Immucillins, 16)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-10.4	n/a	n/a	7.62	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92930 (Immucillins, 14)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-10.0	n/a	n/a	7.34	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92928 (Immucillins, 12)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-8.36	n/a	n/a	6.13	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM82018 (CAS_790 | CHEMBL1427 | Hypoxanthine | NSC_790)	DrugBank GoogleScholar KEGG PDB	CHEBI MMDB PC cid PC sid PDB		-7.40	n/a	n/a	5.43	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92933 (9-Deazainosine)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-7.17	n/a	n/a	5.26	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92921 (Immucillins, 2)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-21.2	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92922 (Immucillins, 3)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-20.4	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50246593 (7-((1,3-dihydroxypropan-2-ylamino)methyl)-3H-pyrro...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid PDB		n/a	n/a	-20.2	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50252909 ((3R,4R)-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fluo...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-15.6	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92923 (Immucillins, 6)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-18.6	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92924 (Immucillins, 7)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-16.1	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92925 (Immucillins, 8)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-17.5	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92926 (Immucillins, 9)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-15.2	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50293064 (7-({[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]am...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-13.3	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92927 (Immucillins, 11)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-12.8	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92928 (Immucillins, 12)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-7.40	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92929 (Immucillins, 13)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-12.3	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92930 (Immucillins, 14)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-8.60	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50330392 (7-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[3,2-d]pyrimid...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-9.55	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92931 (Immucillins, 16)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-8.60	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92932 (Immucillins, 17)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid PDB		n/a	n/a	-8.36	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92921 (Immucillins, 2)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-12.9	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM92933 (9-Deazainosine)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-15.9	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM82018 (CAS_790 | CHEMBL1427 | Hypoxanthine | NSC_790)	DrugBank GoogleScholar KEGG PDB	CHEBI MMDB PC cid PC sid PDB		n/a	n/a	-30.6	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-22.7	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)

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