Compile Data Set for Download or QSAR

Found 52 hits with non-zero ITC data for monomer = 36284

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
BDBM36284	BDBM197285	CHEBI PC cid PC sid	PC cid PC sid		-40.2	-9.90	-30	7	7	26.9
University of California San Diego					J Comput Aided Mol Des 26: 475-87 (2012)
BDBM36284	BDBM197286	CHEBI PC cid PC sid	PC cid PC sid		-37.6	-20.1	-18	6.56	7	26.9
University of California San Diego					J Comput Aided Mol Des 26: 475-87 (2012)
BDBM36284	BDBM50094702	CHEBI PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-33.2	n/a	n/a	5.83	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36311	CHEBI PC cid PC sid	PC cid PC sid		-33.1	-18.8	-14.2	5.76	7	27
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM50159250	CHEBI PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-33.0	n/a	n/a	5.79	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36285	CHEBI PC cid PC sid	PC cid PC sid		-32.9	n/a	n/a	5.77	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36306	CHEBI PC cid PC sid	PC cid PC sid		-32.7	75.4	-108	5.75	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36292	CHEBI PC cid PC sid	PC cid PC sid		-32.5	n/a	n/a	5.70	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM23450	CHEBI PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-32.0	n/a	n/a	5.60	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36290	CHEBI PC cid PC sid	CHEBI KEGG PC cid PC sid PDB		-31.4	n/a	n/a	5.51	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM50094702	CHEBI PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-30.1	10.9	-41	5.26	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36296	CHEBI PC cid PC sid	PC cid PC sid		-29.7	n/a	n/a	5.20	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36286	CHEBI PC cid PC sid	PC cid PC sid		-29.7	n/a	n/a	5.20	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36287	CHEBI PC cid PC sid	PC cid PC sid		-29.1	n/a	n/a	5.11	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36307	CHEBI PC cid PC sid	PC cid PC sid		-29	36.0	-65.3	5.08	7	27
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36305	CHEBI PC cid PC sid	PC cid PC sid		-29	47.7	-77.0	5.11	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM50159250	CHEBI PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-29	15.1	-44.4	5.15	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36306	CHEBI PC cid PC sid	PC cid PC sid		-28.5	24.7	-53.2	5	7	27
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36304	CHEBI PC cid PC sid	PC cid PC sid		-28.1	30.9	-59.0	4.89	7	27
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36301	CHEBI PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-27.9	n/a	n/a	4.90	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36288	CHEBI PC cid PC sid	CHEBI DrugBank MMDB PC cid PC sid PDB		-27.9	n/a	n/a	4.88	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36286	CHEBI PC cid PC sid	PC cid PC sid		-27.6	18.4	-46.1	4.82	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36285	CHEBI PC cid PC sid	PC cid PC sid		-27.6	29.2	-56.9	4.86	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM50167952	CHEBI PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-27.3	n/a	n/a	4.78	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36289	CHEBI PC cid PC sid	PC cid PC sid		-27.0	n/a	n/a	4.73	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36305	CHEBI PC cid PC sid	PC cid PC sid		-26.8	26.8	-53.6	4.70	7	27
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM21974	CHEBI PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-26	16.3	-42.3	4.53	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM26187	CHEBI PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-24.8	n/a	n/a	4.34	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36304	CHEBI PC cid PC sid	PC cid PC sid		-24.7	64.9	-89.6	4.34	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36291	CHEBI PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-24.6	n/a	n/a	4.32	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36308	CHEBI PC cid PC sid	PC cid PC sid		-24.3	44.8	-69.1	4.23	7	27
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM26187	CHEBI PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-23.9	23.0	-46.9	4.18	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM50106187	CHEBI PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-23.6	n/a	n/a	4.11	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36299	CHEBI PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-23.5	n/a	n/a	4.11	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36300	CHEBI PC cid PC sid	CHEBI DrugBank MMDB PC cid PC sid PDB		-23.5	n/a	n/a	4.11	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM50240369	CHEBI PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-23.1	n/a	n/a	4.04	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM26188	CHEBI PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-22.9	n/a	n/a	4	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM50150779	CHEBI PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-22.6	n/a	n/a	3.96	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM50225188	CHEBI PC cid PC sid	MMDB PC cid PC sid		-21.9	n/a	n/a	3.83	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36297	CHEBI PC cid PC sid	CHEBI PC cid PC sid		-21.7	n/a	n/a	3.81	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36293	CHEBI PC cid PC sid	MMDB PC cid PC sid		-21.7	n/a	n/a	3.81	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36294	CHEBI PC cid PC sid	PC cid PC sid PDB		-21.2	n/a	n/a	3.72	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM26189	CHEBI PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-21.2	n/a	n/a	3.72	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36295	CHEBI PC cid PC sid	CHEBI PC cid PC sid PDB		-21.1	n/a	n/a	3.70	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36309	CHEBI PC cid PC sid	PC cid PC sid		-21	33.0	-54.4	3.61	7	27
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36300	CHEBI PC cid PC sid	CHEBI DrugBank MMDB PC cid PC sid PDB		-21	25.0	-46.1	3.61	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36302	CHEBI PC cid PC sid	CHEBI PC cid PC sid		-20.8	n/a	n/a	3.63	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM26190	CHEBI PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-20.7	n/a	n/a	3.62	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36291	CHEBI PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-20.5	31.3	-51.9	3.62	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM26196	CHEBI PC cid PC sid	CHEBI PC cid PC sid PDB		-20	n/a	n/a	3.51	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)

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