Compile Data Set for Download or QSAR

Found 12 hits of ic50 for UniProtKB: Q9X688   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histidine kinase (Caulobacter vibrioides)	BDBM20926 (5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM15364 (4-chloro-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5...) Show SMILES Cc1[nH]nc(c1-c1ccc2OCCOc2c1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C18H15ClN2O4/c1-9-17(10-2-3-15-16(6-10)25-5-4-24-15)18(21-20-9)11-7-12(19)14(23)8-13(11)22/h2-3,6-8,22-23H,4-5H2,1H3,(H,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM50453878 (CHEMBL371380) Show SMILES COc1ccc(cc1)-c1c(C)n[nH]c1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C17H15ClN2O3/c1-9-16(10-3-5-11(23-2)6-4-10)17(20-19-9)12-7-13(18)15(22)8-14(12)21/h3-8,21-22H,1-2H3,(H,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM50409992 (CHEMBL364882) Show SMILES Cc1[nH]nc(c1-c1ccccc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C16H13ClN2O2/c1-9-15(10-5-3-2-4-6-10)16(19-18-9)11-7-12(17)14(21)8-13(11)20/h2-8,20-21H,1H3,(H,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM50453882 (CHEMBL4218027) Show SMILES CCc1cc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)cc1O Show InChI InChI=1S/C19H20N2O3/c1-4-12-9-15(17(23)10-16(12)22)19-18(11(2)20-21-19)13-5-7-14(24-3)8-6-13/h5-10,22-23H,4H2,1-3H3,(H,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM50453881 (CCT018159 | CHEBI:41656 | CHEMBL399530) Show SMILES CCc1cc(-c2[nH]nc(C)c2-c2ccc3OCCOc3c2)c(O)cc1O Show InChI InChI=1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM50409996 (CHEMBL191228) Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H13ClN2O4/c18-12-6-10(13(21)7-14(12)22)17-11(8-19-20-17)9-1-2-15-16(5-9)24-4-3-23-15/h1-2,5-8,21-22H,3-4H2,(H,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM50453884 (CHEMBL4217100) Show SMILES COc1ccc(cc1)-c1c[nH]nc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C16H13ClN2O3/c1-22-10-4-2-9(3-5-10)12-8-18-19-16(12)11-6-13(17)15(21)7-14(11)20/h2-8,20-21H,1H3,(H,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM50453883 (CHEMBL4204469) Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C15H11ClN2O2/c16-12-6-10(13(19)7-14(12)20)15-11(8-17-18-15)9-4-2-1-3-5-9/h1-8,19-20H,(H,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM15365 (3-(2,4-Dihydroxyphenyl)-4-(4-methoxyphenyl)-5-meth...) Show SMILES COc1ccc(cc1)-c1c(C)[nH]nc1-c1ccc(O)cc1O Show InChI InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM50453887 (CHEMBL1551662) Show SMILES COc1ccc(cc1)-c1c[nH]nc1-c1ccc(O)cc1O Show InChI InChI=1S/C16H14N2O3/c1-21-12-5-2-10(3-6-12)14-9-17-18-16(14)13-7-4-11(19)8-15(13)20/h2-9,19-20H,1H3,(H,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM227589 (Radicicol) Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,c:7,t:9| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair