Compile Data Set for Download or QSAR

Found 4 hits of ic50 data for polymerid = 50006395   

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
RocR (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50436161 (CHEMBL2398348) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@@H]2OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]2O1)n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C20H24N10O12P2/c21-19-25-15-13(17(31)27-19)23-5-29(15)11-1-7-9(39-11)3-37-44(35,36)42-8-2-12(40-10(8)4-38-43(33,34)41-7)30-6-24-14-16(30)26-20(22)28-18(14)32/h5-12H,1-4H2,(H,33,34)(H,35,36)(H3,21,25,27,31)(H3,22,26,28,32)/t7-,8-,9+,10+,11+,12+/m0/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Competitive binding affinity to Pseudomonas aeruginosa PAO1 His6-tagged RocR expressed in Escherichia coli BL21 (DE3) after 5 mins in presence of [32...				Bioorg Med Chem 21: 4396-404 (2013) Article DOI: 10.1016/j.bmc.2013.04.050 BindingDB Entry DOI: 10.7270/Q2251KK0
					More data for this Ligand-Target Pair
RocR (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50436163 (CHEMBL1231573) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2CO[P@@](O)(=O)O[C@@H]3[C@@H](CO[P@@](O)(=O)O[C@H]2[C@H]1O)O[C@H]([C@@H]3O)n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Competitive binding affinity to Pseudomonas aeruginosa PAO1 His6-tagged RocR expressed in Escherichia coli BL21 (DE3) after 5 mins in presence of [32...				Bioorg Med Chem 21: 4396-404 (2013) Article DOI: 10.1016/j.bmc.2013.04.050 BindingDB Entry DOI: 10.7270/Q2251KK0
					More data for this Ligand-Target Pair
RocR (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50436162 (CHEMBL2398349) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@H]2[C@H]1F)O[C@H]([C@@H]3F)n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C20H22F2N10O12P2/c21-7-11-5(41-17(7)31-3-25-9-13(31)27-19(23)29-15(9)33)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(8(12)22)32-4-26-10-14(32)28-20(24)30-16(10)34/h3-8,11-12,17-18H,1-2H2,(H,35,36)(H,37,38)(H3,23,27,29,33)(H3,24,28,30,34)/t5-,6-,7-,8-,11-,12-,17-,18-/m1/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Competitive binding affinity to Pseudomonas aeruginosa PAO1 His6-tagged RocR expressed in Escherichia coli BL21 (DE3) after 5 mins in presence of [32...				Bioorg Med Chem 21: 4396-404 (2013) Article DOI: 10.1016/j.bmc.2013.04.050 BindingDB Entry DOI: 10.7270/Q2251KK0
					More data for this Ligand-Target Pair
RocR (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50436160 (CHEMBL2398347) Show SMILES CO[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]3O[C@H]([C@H](OC)[C@@H]3OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1nc(N)[nH]c2=O)n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C22H28N10O14P2/c1-39-13-11-7(43-19(13)31-5-25-9-15(31)27-21(23)29-17(9)33)3-41-48(37,38)46-12-8(4-42-47(35,36)45-11)44-20(14(12)40-2)32-6-26-10-16(32)28-22(24)30-18(10)34/h5-8,11-14,19-20H,3-4H2,1-2H3,(H,35,36)(H,37,38)(H3,23,27,29,33)(H3,24,28,30,34)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Competitive binding affinity to Pseudomonas aeruginosa PAO1 His6-tagged RocR expressed in Escherichia coli BL21 (DE3) after 5 mins in presence of [32...				Bioorg Med Chem 21: 4396-404 (2013) Article DOI: 10.1016/j.bmc.2013.04.050 BindingDB Entry DOI: 10.7270/Q2251KK0
					More data for this Ligand-Target Pair