Compile Data Set for Download or QSAR

Found 95 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	BDBM36077	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-21.8	6.89	-28.7	3.83	4.80	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36106	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-21.7	-1.31	-20.4	3.81	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36107	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-21.7	-1.40	-20.3	3.80	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36077	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-21.4	7.19	-28.6	3.75	4.80	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36055	CHEBI KEGG MMDB PC cid PC sid PDB	KEGG PC cid PC sid		-20.4	9.69	-30.1	3.58	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36056	CHEBI KEGG MMDB PC cid PC sid PDB	KEGG PC cid PC sid		-20.3	9.30	-29.6	3.56	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36065	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-19.5	7.60	-27.1	3.42	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36065	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-19.4	7.69	-27	3.39	4.80	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36066	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-19.3	7.90	-27.2	3.39	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36085	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-19.3	0.209	-19.5	3.37	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36066	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-19.2	7.90	-27.1	3.37	4.80	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36086	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-19.2	0.805	-20	3.36	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36114	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-17.7	-12.8	-4.93	3.10	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM5	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-16.2	-9.90	-6.30	2.85	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36051	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-16.1	-2.30	-13.8	2.82	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36083	CHEBI KEGG MMDB PC cid PC sid PDB	KEGG PC cid PC sid		-16.1	-10.4	-5.61	2.81	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36084	CHEBI KEGG MMDB PC cid PC sid PDB	KEGG PC cid PC sid		-15.9	-10.5	-5.36	2.78	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36052	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-15.8	-2.98	-12.8	2.76	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36067	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-15.7	5.07	-20.7	2.75	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36068	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-15.3	4.20	-19.5	2.69	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36099	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-15.0	-6.35	-8.68	2.63	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36117	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-14.9	-6.29	-8.60	2.62	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36116	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI MMDB PC cid PC sid PDB		-14.9	-4.50	-10.4	2.61	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36098	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-14.9	-6.23	-8.62	2.60	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36049	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-14.8	-5.10	-9.70	2.59	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36050	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-14.6	-4.80	-9.80	2.56	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36073	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-14.4	-6.50	-7.85	2.52	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36074	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-14.4	-6.50	-7.87	2.52	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36053	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-14.2	-3.19	-11	2.49	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36054	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-14.0	-3.40	-10.6	2.45	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36060	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-13.9	-1.49	-12.4	2.43	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36059	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-13.8	-1.79	-12.1	2.42	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36110	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-13.7	-5.07	-8.70	2.34	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36041	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-13.5	-4.29	-9.20	2.37	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36042	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-13.5	-4.20	-9.30	2.36	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36062	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-13.2	4.50	-17.7	2.32	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36115	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-13.0	-4.35	-8.64	2.27	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36061	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-12.8	5.07	-17.8	2.25	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36091	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-12.8	4.71	-17.5	2.24	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36026	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-12.6	-5.69	-6.90	2.21	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36112	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-12.5	-1.91	-10.6	2.20	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36069	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-12.4	-3.49	-8.90	2.17	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36070	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-12.4	-2.42	-10	2.17	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36057	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-12.3	-2.98	-9.30	2.15	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36092	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-12.3	4.11	-16.4	2.15	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36058	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-12.3	-2.21	-10.1	2.15	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36038	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-12.1	5.07	-17.1	2.11	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36037	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-12.0	4.71	-16.7	2.10	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36043	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-11.8	-4.26	-7.56	2.07	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)
BDBM11	BDBM36109	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid PDB		-11.8	8.50	-20.3	2.07	4.80	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)

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