Compile Data Set for Download or QSAR

Found 83 hits with all data for this entryid

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
BDBM11	BDBM36011	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-18.8	-5.10	-13.8	3.30	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36016	MMDB PC cid PC sid PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-16.7	1.79	-18.5	2.92	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM7887	CHEBI KEGG MMDB PC cid PC sid PDB	DrugBank MMDB PC cid PC sid PDB		-14.9	1.01	-15.9	2.61	10	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36010	MMDB PC cid PC sid PDB	PC cid PC sid		-12.8	7.60	-20.4	2.24	10	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36026	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-12.3	-4.71	-7.60	2.15	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36009	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-12.0	-2.80	-9.20	2.11	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36027	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI DrugBank MMDB PC cid PC sid PDB		-11.6	-2.41	-9.20	2.04	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36029	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-11.3	1.19	-12.5	1.99	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36027	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI DrugBank MMDB PC cid PC sid PDB		-11.3	-1.79	-9.44	1.98	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36019	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid PDB		-11.2	-3.19	-8.08	1.97	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36030	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-11.1	-4.29	-6.84	1.95	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36014	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-10.8	-1.10	-9.70	1.90	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36029	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-10.8	1.40	-12.2	1.89	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36019	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid PDB		-10.8	-2.59	-8.21	1.89	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36018	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-10.7	1.01	-11.7	1.88	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36020	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-10.7	3.19	-13.4	1.78	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36030	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-10.7	-3.49	-7.23	1.87	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36015	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-10.6	-1.91	-8.71	1.85	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM50067723	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-10.6	3.19	-13.8	1.85	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36028	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-10.5	-0.507	-9.99	1.84	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36018	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-10.4	2.89	-13.3	1.82	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM50067723	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-10.3	3.49	-13.8	1.80	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36030	MMDB PC cid PC sid PDB	PC cid PC sid		-10.2	6.29	-16.5	1.78	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM7887	MMDB PC cid PC sid PDB	DrugBank MMDB PC cid PC sid PDB		-10.2	18.8	-28.9	1.78	10	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36014	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-10.1	-0.805	-9.31	1.77	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36015	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-9.95	-1.19	-8.79	1.74	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36022	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-9.83	3.81	-13.7	1.72	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36020	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-9.78	5.51	-15.3	1.71	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36024	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-9.52	9.89	-19.4	1.67	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36030	MMDB PC cid PC sid PDB	PC cid PC sid		-9.44	4.50	-13.9	1.65	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36011	MMDB PC cid PC sid PDB	PC cid PC sid		-9.43	10.4	-19.9	1.65	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36022	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-9.40	6.50	-15.9	1.65	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36019	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid PDB		-9.39	10.4	-19.8	1.65	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36024	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-9.10	12.8	-21.9	1.59	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36012	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-9.08	0.298	-9.39	1.59	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36021	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-9.06	9.09	-18.2	1.59	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM7886	MMDB PC cid PC sid PDB	MMDB PC cid PC sid PDB		-9	11.0	-20	1.57	10	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36012	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-8.94	1.31	-10.2	1.57	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36012	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-8.81	10.0	-18.8	1.54	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36021	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-8.65	12.0	-20.7	1.51	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM50049797	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-8.58	7.90	-16.5	1.51	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36032	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-8.54	0.209	-8.70	1.51	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36026	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-8.54	6.91	-15.5	1.51	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM50049797	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-8.46	9.80	-18.3	1.48	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36019	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid PDB		-8.44	6.59	-15	1.48	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36031	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-8.30	-2.00	-6.30	1.45	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36012	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-8.16	5.39	-13.6	1.43	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM7886	CHEBI KEGG MMDB PC cid PC sid PDB	MMDB PC cid PC sid PDB		-8	31.0	-39	1.40	10	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36023	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-7.90	-1.49	-6.40	1.38	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36027	MMDB PC cid PC sid PDB	CHEBI DrugBank MMDB PC cid PC sid PDB		-7.85	8.91	-16.8	1.37	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)

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