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
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	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)
BDBM4	BDBM36015	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-5.42	10.7	-16.2	0.950	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36017	MMDB PC cid PC sid PDB	PC cid PC sid		-6.52	9.21	-15.8	1.14	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36018	MMDB PC cid PC sid PDB	PC cid PC sid		-7.04	7.60	-14.6	1.23	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)
BDBM4	BDBM36021	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-3.70	13.0	-17	0.650	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36022	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-5.45	17.6	-23.1	0.950	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36023	MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-6.03	7.21	-13.2	1.04	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36024	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-3.20	22.0	-25	0.560	5	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		-7.63	8.31	-15.9	1.34	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36029	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-6.66	7.21	-13.7	1.17	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM50067723	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-4.96	13.4	-18.4	0.870	5	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	BDBM36031	MMDB PC cid PC sid PDB	PC cid PC sid		-6.52	5.39	-11.8	1.14	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		-8.46	9.80	-18.3	1.48	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		-8.94	1.31	-10.2	1.57	5	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	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)
BDBM11	BDBM36017	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-5.15	8.31	-13.5	0.898	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		-10.4	2.89	-13.3	1.82	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	BDBM50091035	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-3.60	9.80	-13.4	0.630	5	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	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	BDBM36031	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-7.59	-0.298	-7.30	1.33	5	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	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)
BDBM11	BDBM36023	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-7.43	-0.596	-6.90	1.30	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		-9.10	12.8	-21.9	1.59	5	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)
BDBM4	BDBM36014	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-6.10	5.96	-12	1.08	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36009	MMDB PC cid PC sid PDB	PC cid PC sid		-6.66	8.05	-14.8	1.17	6.90	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)
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)
BDBM4	BDBM36013	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-5.10	3.90	-9	0.898	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36014	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-7.02	8.61	-15.6	1.23	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36015	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-7.17	7.69	-15	1.26	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)
BDBM4	BDBM36018	MMDB PC cid PC sid PDB	PC cid PC sid		-7.73	11.3	-19	1.35	6.90	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)
BDBM4	BDBM36020	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-4.10	5.96	-10	0.720	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36021	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-4.80	11.0	-16	0.850	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36022	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-6.22	21.8	-28.1	1.08	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36023	MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-6.40	6.91	-13.3	1.12	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36024	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-3.5	30.1	-34	0.610	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36025	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-5.60	16.0	-21	0.980	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)
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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