Compile Data Set for Download or QSAR

Found 48 hits with all data for this entryid

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
BDBM11	BDBM36194	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-4.97	-1.05	-3.92	3.64	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM23432	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid PDB		-4.62	0.271	-4.89	3.39	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36142	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-4.60	0.855	-5.46	3.38	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36178	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-4.56	-1.60	-2.95	3.34	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36193	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-4.54	-2.37	-2.16	3.33	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36145	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-4.32	-2.04	-2.27	3.16	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36189	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-4.17	-1.89	-2.29	3.06	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36202	MMDB PC cid PC sid PDB	PC cid PC sid		-4.16	0.570	-4.73	3.05	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36141	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-4.13	0.520	-4.66	3.03	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36190	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-4.08	-1.71	-2.37	2.99	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM50240408	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid PDB		-3.99	0.199	-4.19	2.93	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36192	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid PDB		-3.98	-1.89	-2.09	2.92	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36191	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-3.91	-1.84	-2.07	2.87	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36187	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-3.60	0.677	-4.28	2.64	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36184	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI DrugBank PC cid PC sid		-3.60	-0.783	-2.81	2.64	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36197	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-3.59	0.883	-4.48	2.64	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36142	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-3.58	-3.10	-0.475	2.62	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36140	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-3.53	0.662	-4.19	2.59	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36203	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-3.52	-1.27	-2.25	2.58	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36201	MMDB PC cid PC sid PDB	PC cid PC sid		-3.51	0.684	-4.19	2.58	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM50240408	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid PDB		-3.39	-3.81	0.418	2.48	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36174	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-3.38	0.0214	-3.40	2.48	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36195	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-3.34	0.776	-4.12	2.45	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36194	MMDB PC cid PC sid PDB	PC cid PC sid		-3.22	-2.28	-0.931	2.37	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36176	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-3.05	-1.96	-1.09	2.24	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36196	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-3.01	0.349	-3.36	2.21	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36139	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-2.72	0.563	-3.28	1.99	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36182	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid PDB		-2.59	0.157	-2.75	1.90	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36187	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-2.56	-3.03	0.468	1.88	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36186	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-2.51	-0.548	-1.96	1.84	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36178	MMDB PC cid PC sid PDB	PC cid PC sid		-2.51	0.477	-2.99	1.83	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36140	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-2.48	-3.08	0.597	1.81	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36174	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-2.28	-3.59	1.31	1.67	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36134	CHEBI KEGG MMDB PC cid PC sid PDB	KEGG PC cid PC sid		-2.19	0.698	-2.89	1.61	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36185	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-2.15	0.769	-2.93	1.58	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36176	MMDB PC cid PC sid PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-2.13	0.612	-2.74	1.56	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36188	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid PDB		-2.02	0.726	-2.75	1.48	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM50240453	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-1.87	1.12	-2.99	1.37	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36200	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-1.76	0.912	-2.68	1.29	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36183	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid PDB		-1.70	0.0926	-1.79	1.24	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36199	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-1.68	0.883	-2.57	1.24	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36181	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-1.64	0.869	-2.51	1.20	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM36198	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid PDB		-1.57	0.598	-2.17	1.16	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36188	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid PDB		-1.55	-2.44	0.884	1.15	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM4	BDBM50079401	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-1.50	1.03	-2.53	1.10	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36133	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-1.46	1.29	-2.75	1.08	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36182	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid PDB		-1.27	-3.15	1.89	0.919	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)
BDBM11	BDBM36139	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		n/a	n/a	1.19	0.903	6.90	25
NIST					J Phys Chem B 101: 87-100 (1997)

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• Change energy unit to:  kJ/mol