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° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
BDBM4	BDBM23432	MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid PDB		-19.5	0.507	-20	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		-19.3	0.209	-19.5	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		-19.3	1.19	-20.5	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		-19.2	-7.45	-11.8	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		-19.1	-6.71	-12.4	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		-19.0	1.31	-20.3	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		-16.9	0.596	-17.4	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		-16.7	0.805	-17.5	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		-16.4	-10.4	-5.98	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		-16.3	-10.8	-5.56	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		-16.2	-9.90	-6.30	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		-16.2	-10.6	-5.58	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		-16.1	-10.4	-5.61	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		-16.0	5.61	-21.6	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		-15.9	-9.78	-6.18	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		-15.7	5.07	-20.7	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		-15.3	-3.97	-11.3	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		-15.0	1.79	-16.8	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		-14.9	-4.50	-10.4	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		-14.8	2.71	-17.5	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		-14.6	0.447	-15.1	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		-14.5	-6.95	-7.52	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		-14.4	-1.28	-13.2	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		-14.4	-4.20	-10.2	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		-14.4	-6.53	-7.85	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		-14.2	-1.04	-13.1	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		-14.2	0.209	-14.4	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		-14.1	0.209	-14.3	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		-14.1	0.119	-14.2	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		-14.1	-0.507	-13.5	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		-14.0	0.686	-14.7	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		-14.0	-3.70	-10.3	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		-13.3	-3.79	-9.51	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		-13.2	5.31	-18.5	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		-13.0	-4.35	-8.64	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		-12.9	-9.06	-3.89	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		-12.9	-5.43	-7.48	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		-12.8	5.07	-17.8	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		-12.8	-8.20	-4.60	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		-12.6	-5.69	-6.90	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		-12.5	6.50	-19	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		-12.1	5.07	-17.1	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		-11.6	-2.42	-9.20	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		-11.5	4.50	-16	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		-11.3	-2.59	-8.70	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		-11.0	-0.268	-10.7	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		-10.9	3.97	-14.9	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		-10.9	4.29	-15.2	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		-10.9	-2.06	-8.80	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		-10.8	0.0894	-10.9	1.90	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 124: 12361-71 (2002)

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