Compile Data Set for Download or QSAR

Found 66 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
BDBM4	BDBM23432	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid PDB		-4.66	0.121	-4.78	3.42	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM4	BDBM23432	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid PDB		-4.62	0.0498	-4.66	3.39	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM4	BDBM23432	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid PDB		-4.62	0.285	-4.90	3.39	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36178	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-4.59	-1.78	-2.81	3.37	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36178	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-4.56	-1.60	-2.96	3.34	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM4	BDBM23432	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid PDB		-4.54	0.313	-4.85	3.33	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM4	BDBM9	MMDB PC cid PC sid PDB	CHEBI MMDB PC cid PC sid PDB		-4.02	0.142	-4.16	2.95	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM4	BDBM9	MMDB PC cid PC sid PDB	CHEBI MMDB PC cid PC sid PDB		-3.99	0.192	-4.18	2.92	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM5	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-3.92	-2.49	-1.43	2.87	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36083	CHEBI KEGG MMDB PC cid PC sid PDB	KEGG PC cid PC sid		-3.90	-2.57	-1.33	2.86	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM5	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-3.88	-2.36	-1.50	2.85	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM5	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-3.87	-2.54	-1.33	2.84	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36083	CHEBI KEGG MMDB PC cid PC sid PDB	KEGG PC cid PC sid		-3.83	-2.49	-1.34	2.81	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36067	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-3.82	1.34	-5.16	2.80	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM5	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-3.81	-2.34	-1.48	2.80	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36067	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-3.75	1.21	-4.94	2.75	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36116	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI MMDB PC cid PC sid PDB		-3.65	-0.947	-2.70	2.68	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM4	BDBM36140	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-3.58	0.427	-4.01	2.62	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36116	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI MMDB PC cid PC sid PDB		-3.55	-1.08	-2.48	2.61	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM4	BDBM36140	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-3.53	0.648	-4.18	2.59	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36143	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-3.49	0.107	-3.60	2.56	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36073	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-3.45	-1.66	-1.80	2.53	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM4	BDBM36174	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-3.45	-0.306	-3.15	2.53	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM36127	BDBM36135	PC cid PC sid	CHEBI KEGG PC cid PC sid		-3.45	-1.00	-2.44	2.53	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36073	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-3.43	-1.56	-1.87	2.52	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM4	BDBM36174	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-3.39	-0.249	-3.14	2.49	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM4	BDBM22603	MMDB PC cid PC sid PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-3.38	0.0498	-3.44	2.48	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM4	BDBM36174	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-3.38	0.0498	-3.42	2.48	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36143	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-3.37	0.0285	-3.40	2.47	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM4	BDBM36174	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-3.36	-0.121	-3.23	2.46	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM4	BDBM22603	MMDB PC cid PC sid PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-3.35	0.164	-3.51	2.46	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM36127	BDBM36135	PC cid PC sid	CHEBI KEGG PC cid PC sid		-3.35	-0.883	-2.46	2.45	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36115	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-3.18	-0.904	-2.27	2.33	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36061	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-3.15	1.27	-4.42	2.31	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36115	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-3.10	-1.04	-2.06	2.27	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36176	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-3.09	-2.16	-0.929	2.27	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36026	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-3.08	-1.30	-1.79	2.26	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36061	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-3.07	1.21	-4.25	2.25	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36176	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-3.05	-1.96	-1.10	2.24	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36026	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-3.01	-1.36	-1.65	2.21	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36038	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-2.99	1.55	-4.54	2.19	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36038	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-2.88	1.21	-4.08	2.11	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36135	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-2.78	-0.577	-2.20	2.04	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36144	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-2.74	1.08	-3.82	2.01	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36135	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-2.70	-0.620	-2.08	1.98	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM4	BDBM36173	MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG PC cid PC sid PDB		-2.62	-0.0641	-2.56	1.92	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM50067723	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-2.61	0.947	-3.56	1.91	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36144	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-2.60	1.03	-3.63	1.91	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM11	BDBM36034	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-2.59	-0.491	-2.10	1.90	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)
BDBM4	BDBM36173	MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG PC cid PC sid PDB		-2.59	0.0214	-2.60	1.90	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)

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