Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclic AMP receptor protein   (200/209 = 96%)† (Vibrio cholerae O1 biovar El Tor str. N16961)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O Show InChI InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PCBioAssay	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2HD7T8K
					More data for this Ligand-Target Pair				3D Structure (crystal)

Identical Ligands in BindingDB

Found 12 hits Isothermal Titration Calorimetry Data

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
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-32.2	-57.2	25.5	5.61	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-30.5	-23.0	-7.90	5.43	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-30.1	-20.9	-9.20	5.26	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-30.1	-83.2	51.5	5.26	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-29.3	-16.4	-11.3	5.26	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-28.9	-20.6	-8.40	5.08	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-28.9	-59.0	30.1	5.08	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-28.5	-16.4	-12.1	4.91	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-28.5	-9.54	-19.2	4.91	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-27.6	-62.0	34.3	4.91	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-27.6	-68.6	41	4.91	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-25.5	-29.2	2.90	4.56	7.80	25
Durham University					PLoS Biol 11: (2013)

Similar Ligands in BindingDB^*

Found 12 hits Isothermal Titration Calorimetry Data

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
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-32.2	-57.2	25.5	5.61	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-30.5	-23.0	-7.90	5.43	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-30.1	-20.9	-9.20	5.26	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-30.1	-83.2	51.5	5.26	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-29.3	-16.4	-11.3	5.26	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-28.9	-20.6	-8.40	5.08	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-28.9	-59.0	30.1	5.08	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-28.5	-16.4	-12.1	4.91	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-28.5	-9.54	-19.2	4.91	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-27.6	-62.0	34.3	4.91	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-27.6	-68.6	41	4.91	7.80	25
Durham University					PLoS Biol 11: (2013)
cAMP-activated global transcriptional regulator CRP  (209/209 = 100%)† (Escherichia coli)	BDBM10851 ((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)	GoogleScholar PDB	CHEBI KEGG PC cid PC sid PDB		-25.5	-29.2	2.90	4.56	7.80	25
Durham University					PLoS Biol 11: (2013)

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