Compile Data Set for Download or QSAR

Found 28 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	BDBM36163	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-16.5	5.37	-22	2.88	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM4	BDBM36164	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-16.4	5.66	-22.1	2.88	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM4	BDBM36160	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-14.6	1.79	-16.4	2.56	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM4	BDBM36162	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-14.5	2.39	-16.9	2.54	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM4	BDBM36160	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-14.5	2.68	-17.2	2.54	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM4	BDBM36158	MMDB PC cid PC sid PDB	CHEBI MMDB PC cid PC sid		-12	3.19	-15.2	2.10	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM4	BDBM36159	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid PDB		-12	3.40	-15.4	2.10	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM11	BDBM36160	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-11.8	-13.7	1.90	2.07	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM11	BDBM36152	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid PDB		-11.6	0.298	-11.9	2.03	10.0	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM4	BDBM36173	MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG PC cid PC sid PDB		-10.9	0.894	-11.6	1.90	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM11	BDBM36159	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid PDB		-8.70	-12.5	3.70	1.52	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM11	BDBM36158	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI MMDB PC cid PC sid		-8.60	-12.8	4.10	1.51	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM4	BDBM36157	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid PDB		-8.20	1.70	-9.90	1.44	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM4	BDBM36156	MMDB PC cid PC sid PDB	CHEBI DrugBank PC cid PC sid		-7.90	3.10	-11	1.39	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM4	BDBM36155	MMDB PC cid PC sid PDB	CHEBI MMDB PC cid PC sid PDB		-7.90	3.28	-11.1	1.38	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM11	BDBM36152	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid PDB		-7.70	1.31	-9	1.34	5.01	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM11	BDBM36155	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI MMDB PC cid PC sid PDB		-7.40	-10.7	3.20	1.30	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM4	BDBM36152	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid PDB		-7.20	11.0	-18.2	1.27	10.0	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM11	BDBM36173	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG PC cid PC sid PDB		-6.90	-11.2	4.30	1.20	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM11	BDBM36156	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI DrugBank PC cid PC sid		-6.40	-11.3	4.90	1.11	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM11	BDBM36157	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid PDB		-6.40	-11.3	4.90	1.11	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM4	BDBM36152	MMDB PC cid PC sid PDB	CHEBI PC cid PC sid PDB		-6.20	8.05	-14.3	1.08	5.01	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM4	BDBM36154	MMDB PC cid PC sid PDB	CHEBI KEGG MMDB PC cid PC sid		-5.60	-4.47	-1.20	0.987	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM4	BDBM36161	MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-5.20	9.84	-15	0.903	5.01	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM4	BDBM18073	MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-5.20	6.86	-12	0.903	5.01	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM11	BDBM36153	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-3.70	-9.84	6	0.653	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM11	BDBM18073	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-3	8.94	-12	0.477	5.01	25
NIST					J Phys Chem 98: 10282-10288 (1994)
BDBM11	BDBM36154	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG MMDB PC cid PC sid		-2.40	-13.4	11.1	0.415	6.90	25
NIST					J Phys Chem 98: 10282-10288 (1994)

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• Change energy unit to:  kcal/mol