Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'chan' and Initial = 'wc'   

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
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50548231 (CHEMBL4753599) Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6]-[#6]-n1[se;v2]c2ccccc2c1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type N-terminal His6-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21 assessed as inhibition constant using n...				Citation and Details Article DOI: 10.1016/j.ejmech.2018.06.007 BindingDB Entry DOI: 10.7270/Q2SB49CC
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151874 (CHEMBL362838 | Tyr-Ser-Thr-cyclo(Cys-Ala-Phe-Ile-M...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C42H60N8O11S2/c1-6-22(2)33-40(59)45-29(16-17-62-5)42(61)63-21-32(39(58)44-23(3)35(54)46-30(37(56)49-33)19-25-10-8-7-9-11-25)48-41(60)34(24(4)52)50-38(57)31(20-51)47-36(55)28(43)18-26-12-14-27(53)15-13-26/h7-15,22-24,28-34,51-53H,6,16-21,43H2,1-5H3,(H,44,58)(H,45,59)(H,46,54)(H,47,55)(H,48,60)(H,49,56)(H,50,57)/t22-,23-,24+,28-,29+,30+,31-,32-,33-,34-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151871 (2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...) Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CSC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C40H56N8O13S/c1-20(2)13-26-34(55)43-27(15-22-7-5-4-6-8-22)40(61)62-19-31(38(59)46-29(17-50)36(57)45-28(16-49)35(56)42-26)47-39(60)32(21(3)52)48-37(58)30(18-51)44-33(54)25(41)14-23-9-11-24(53)12-10-23/h4-12,20-21,25-32,49-53H,13-19,41H2,1-3H3,(H,42,56)(H,43,55)(H,44,54)(H,45,57)(H,46,59)(H,47,60)(H,48,58)/t21-,25+,26-,27+,28+,29-,30+,31-,32+/m1/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151876 (CHEMBL182783 | GVNACSSLF) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C38H60N10O13S/c1-18(2)11-22(33(55)44-24(38(60)61)12-21-9-7-6-8-10-21)42-34(56)25(15-49)45-35(57)26(16-50)46-36(58)27(17-62)47-31(53)20(5)41-32(54)23(13-28(40)51)43-37(59)30(19(3)4)48-29(52)14-39/h6-10,18-20,22-27,30,49-50,62H,11-17,39H2,1-5H3,(H2,40,51)(H,41,54)(H,42,56)(H,43,59)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,52)(H,60,61)/t20-,22-,23-,24-,25-,26-,27-,30-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to antagonise accessory gene regulator C3 of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151880 (CHEMBL426697 | YSTCYFIM) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(O)=O Show InChI InChI=1S/C48H66N8O13S2/c1-5-26(2)39(46(66)50-34(48(68)69)19-20-71-4)55-43(63)36(22-28-9-7-6-8-10-28)51-42(62)35(23-30-13-17-32(60)18-14-30)52-45(65)38(25-70)54-47(67)40(27(3)58)56-44(64)37(24-57)53-41(61)33(49)21-29-11-15-31(59)16-12-29/h6-18,26-27,33-40,57-60,70H,5,19-25,49H2,1-4H3,(H,50,66)(H,51,62)(H,52,65)(H,53,61)(H,54,67)(H,55,63)(H,56,64)(H,68,69)/t26-,27+,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to antagonise accessory gene regulator C3 of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50117496 (CHEMBL429171 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-(L)-P...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]([C@H](O)c1ccccc1)C(O)=O Show InChI InChI=1S/C48H81N17O10/c1-6-27(4)36(45(73)65-37(46(74)75)38(66)29-14-8-7-9-15-29)64-44(72)35(22-26(2)3)63-43(71)34(18-13-21-57-48(53)54)62-42(70)33(17-12-20-56-47(51)52)61-41(69)32(16-10-11-19-49)60-39(67)28(5)59-40(68)31(50)23-30-24-55-25-58-30/h7-9,14-15,24-28,31-38,66H,6,10-13,16-23,49-50H2,1-5H3,(H,55,58)(H,59,68)(H,60,67)(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H,65,73)(H,74,75)(H4,51,52,56)(H4,53,54,57)/t27-,28-,31-,32-,33-,34-,35-,36-,37-,38+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein				Bioorg Med Chem Lett 12: 2501-5 (2002) BindingDB Entry DOI: 10.7270/Q2CC101N
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151873 (2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C43H62N8O11S2/c1-6-23(3)34-41(60)46-30(17-18-63-5)43(62)64-22-33(40(59)45-29(7-2)37(56)47-31(38(57)50-34)20-25-11-9-8-10-12-25)49-42(61)35(24(4)53)51-39(58)32(21-52)48-36(55)28(44)19-26-13-15-27(54)16-14-26/h8-16,23-24,28-35,52-54H,6-7,17-22,44H2,1-5H3,(H,45,59)(H,46,60)(H,47,56)(H,48,55)(H,49,61)(H,50,57)(H,51,58)/t23-,24+,28-,29?,30+,31+,32-,33-,34-,35-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151876 (CHEMBL182783 | GVNACSSLF) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C38H60N10O13S/c1-18(2)11-22(33(55)44-24(38(60)61)12-21-9-7-6-8-10-21)42-34(56)25(15-49)45-35(57)26(16-50)46-36(58)27(17-62)47-31(53)20(5)41-32(54)23(13-28(40)51)43-37(59)30(19(3)4)48-29(52)14-39/h6-10,18-20,22-27,30,49-50,62H,11-17,39H2,1-5H3,(H2,40,51)(H,41,54)(H,42,56)(H,43,59)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,52)(H,60,61)/t20-,22-,23-,24-,25-,26-,27-,30-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonistic concentration for accessory gene regulator C1 of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151880 (CHEMBL426697 | YSTCYFIM) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(O)=O Show InChI InChI=1S/C48H66N8O13S2/c1-5-26(2)39(46(66)50-34(48(68)69)19-20-71-4)55-43(63)36(22-28-9-7-6-8-10-28)51-42(62)35(23-30-13-17-32(60)18-14-30)52-45(65)38(25-70)54-47(67)40(27(3)58)56-44(64)37(24-57)53-41(61)33(49)21-29-11-15-31(59)16-12-29/h6-18,26-27,33-40,57-60,70H,5,19-25,49H2,1-4H3,(H,50,66)(H,51,62)(H,52,65)(H,53,61)(H,54,67)(H,55,63)(H,56,64)(H,68,69)/t26-,27+,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to antagonise accessory gene regulator C2 of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151877 (CHEMBL182114 | N-[9-Benzyl-6-sec-butyl-12-methyl-3...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(C)=O Show InChI InChI=1S/C28H41N5O6S2/c1-6-16(2)23-27(38)31-20(12-13-40-5)28(39)41-15-22(30-18(4)34)26(37)29-17(3)24(35)32-21(25(36)33-23)14-19-10-8-7-9-11-19/h7-11,16-17,20-23H,6,12-15H2,1-5H3,(H,29,37)(H,30,34)(H,31,38)(H,32,35)(H,33,36)/t16-,17-,20+,21+,22-,23-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151877 (CHEMBL182114 | N-[9-Benzyl-6-sec-butyl-12-methyl-3...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(C)=O Show InChI InChI=1S/C28H41N5O6S2/c1-6-16(2)23-27(38)31-20(12-13-40-5)28(39)41-15-22(30-18(4)34)26(37)29-17(3)24(35)32-21(25(36)33-23)14-19-10-8-7-9-11-19/h7-11,16-17,20-23H,6,12-15H2,1-5H3,(H,29,37)(H,30,34)(H,31,38)(H,32,35)(H,33,36)/t16-,17-,20+,21+,22-,23-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151879 (2-{2-[2-(2-{2-[2-(2-Amino-3-methyl-pentanoylamino)...) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C38H60N8O11S/c1-7-21(6)31(40)37(55)44-25(16-29(39)47)34(52)46-28(18-58)36(54)43-26(17-30(48)49)35(53)42-24(15-22-11-9-8-10-12-22)33(51)41-23(13-19(2)3)32(50)45-27(38(56)57)14-20(4)5/h8-12,19-21,23-28,31,58H,7,13-18,40H2,1-6H3,(H2,39,47)(H,41,51)(H,42,53)(H,43,54)(H,44,55)(H,45,50)(H,46,52)(H,48,49)(H,56,57)/t21-,23-,24-,25-,26-,27-,28-,31-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to antagonise accessory gene regulator C2 of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151874 (CHEMBL362838 | Tyr-Ser-Thr-cyclo(Cys-Ala-Phe-Ile-M...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C42H60N8O11S2/c1-6-22(2)33-40(59)45-29(16-17-62-5)42(61)63-21-32(39(58)44-23(3)35(54)46-30(37(56)49-33)19-25-10-8-7-9-11-25)48-41(60)34(24(4)52)50-38(57)31(20-51)47-36(55)28(43)18-26-12-14-27(53)15-13-26/h7-15,22-24,28-34,51-53H,6,16-21,43H2,1-5H3,(H,44,58)(H,45,59)(H,46,54)(H,47,55)(H,48,60)(H,49,56)(H,50,57)/t22-,23-,24+,28-,29+,30+,31-,32-,33-,34-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151871 (2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...) Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CSC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C40H56N8O13S/c1-20(2)13-26-34(55)43-27(15-22-7-5-4-6-8-22)40(61)62-19-31(38(59)46-29(17-50)36(57)45-28(16-49)35(56)42-26)47-39(60)32(21(3)52)48-37(58)30(18-51)44-33(54)25(41)14-23-9-11-24(53)12-10-23/h4-12,20-21,25-32,49-53H,13-19,41H2,1-3H3,(H,42,56)(H,43,55)(H,44,54)(H,45,57)(H,46,59)(H,47,60)(H,48,58)/t21-,25+,26-,27+,28+,29-,30+,31-,32+/m1/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151871 (2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...) Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CSC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C40H56N8O13S/c1-20(2)13-26-34(55)43-27(15-22-7-5-4-6-8-22)40(61)62-19-31(38(59)46-29(17-50)36(57)45-28(16-49)35(56)42-26)47-39(60)32(21(3)52)48-37(58)30(18-51)44-33(54)25(41)14-23-9-11-24(53)12-10-23/h4-12,20-21,25-32,49-53H,13-19,41H2,1-3H3,(H,42,56)(H,43,55)(H,44,54)(H,45,57)(H,46,59)(H,47,60)(H,48,58)/t21-,25+,26-,27+,28+,29-,30+,31-,32+/m1/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151883 (CHEMBL276191 | N-[9-Benzyl-6-sec-butyl-12-methyl-3...) Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](CSC(=O)[C@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CCCOc1ccc(Cc2ccccc2)cc1)[C@@H](C)O Show InChI InChI=1S/C50H67N7O11S2/c1-6-30(2)42-48(65)53-37(23-25-69-5)50(67)70-29-40(47(64)51-31(3)44(61)54-38(45(62)56-42)27-34-16-11-8-12-17-34)55-49(66)43(32(4)59)57-46(63)39(28-58)52-41(60)18-13-24-68-36-21-19-35(20-22-36)26-33-14-9-7-10-15-33/h7-12,14-17,19-22,30-32,37-40,42-43,58-59H,6,13,18,23-29H2,1-5H3,(H,51,64)(H,52,60)(H,53,65)(H,54,61)(H,55,66)(H,56,62)(H,57,63)/t30-,31+,32+,37-,38-,39-,40+,42+,43-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151874 (CHEMBL362838 | Tyr-Ser-Thr-cyclo(Cys-Ala-Phe-Ile-M...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C42H60N8O11S2/c1-6-22(2)33-40(59)45-29(16-17-62-5)42(61)63-21-32(39(58)44-23(3)35(54)46-30(37(56)49-33)19-25-10-8-7-9-11-25)48-41(60)34(24(4)52)50-38(57)31(20-51)47-36(55)28(43)18-26-12-14-27(53)15-13-26/h7-15,22-24,28-34,51-53H,6,16-21,43H2,1-5H3,(H,44,58)(H,45,59)(H,46,54)(H,47,55)(H,48,60)(H,49,56)(H,50,57)/t22-,23-,24+,28-,29+,30+,31-,32-,33-,34-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151874 (CHEMBL362838 | Tyr-Ser-Thr-cyclo(Cys-Ala-Phe-Ile-M...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C42H60N8O11S2/c1-6-22(2)33-40(59)45-29(16-17-62-5)42(61)63-21-32(39(58)44-23(3)35(54)46-30(37(56)49-33)19-25-10-8-7-9-11-25)48-41(60)34(24(4)52)50-38(57)31(20-51)47-36(55)28(43)18-26-12-14-27(53)15-13-26/h7-15,22-24,28-34,51-53H,6,16-21,43H2,1-5H3,(H,44,58)(H,45,59)(H,46,54)(H,47,55)(H,48,60)(H,49,56)(H,50,57)/t22-,23-,24+,28-,29+,30+,31-,32-,33-,34-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50117492 (CHEMBL267119 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-(L)-P...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](CO)Cc1ccccc1 Show InChI InChI=1S/C48H83N17O8/c1-6-29(4)39(46(73)60-33(26-66)23-31-14-8-7-9-15-31)65-45(72)38(22-28(2)3)64-44(71)37(18-13-21-57-48(53)54)63-43(70)36(17-12-20-56-47(51)52)62-42(69)35(16-10-11-19-49)61-40(67)30(5)59-41(68)34(50)24-32-25-55-27-58-32/h7-9,14-15,25,27-30,33-39,66H,6,10-13,16-24,26,49-50H2,1-5H3,(H,55,58)(H,59,68)(H,60,73)(H,61,67)(H,62,69)(H,63,70)(H,64,71)(H,65,72)(H4,51,52,56)(H4,53,54,57)/t29-,30-,33-,34-,35-,36-,37-,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein				Bioorg Med Chem Lett 12: 2501-5 (2002) BindingDB Entry DOI: 10.7270/Q2CC101N
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50117488 (CHEMBL217362 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-Phe-N...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C48H82N18O8/c1-6-28(4)38(46(74)64-36(39(51)67)23-30-14-8-7-9-15-30)66-45(73)37(22-27(2)3)65-44(72)35(18-13-21-58-48(54)55)63-43(71)34(17-12-20-57-47(52)53)62-42(70)33(16-10-11-19-49)61-40(68)29(5)60-41(69)32(50)24-31-25-56-26-59-31/h7-9,14-15,25-29,32-38H,6,10-13,16-24,49-50H2,1-5H3,(H2,51,67)(H,56,59)(H,60,69)(H,61,68)(H,62,70)(H,63,71)(H,64,74)(H,65,72)(H,66,73)(H4,52,53,57)(H4,54,55,58)/t28-,29-,32-,33-,34-,35-,36-,37-,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein				Bioorg Med Chem Lett 12: 2501-5 (2002) BindingDB Entry DOI: 10.7270/Q2CC101N
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50117490 (CHEMBL384574 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-(Z)-D...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NC(=Cc1ccccc1)C(O)=O |w:64.65| Show InChI InChI=1S/C48H79N17O9/c1-6-28(4)38(45(72)64-37(46(73)74)23-30-14-8-7-9-15-30)65-44(71)36(22-27(2)3)63-43(70)35(18-13-21-57-48(53)54)62-42(69)34(17-12-20-56-47(51)52)61-41(68)33(16-10-11-19-49)60-39(66)29(5)59-40(67)32(50)24-31-25-55-26-58-31/h7-9,14-15,23,25-29,32-36,38H,6,10-13,16-22,24,49-50H2,1-5H3,(H,55,58)(H,59,67)(H,60,66)(H,61,68)(H,62,69)(H,63,70)(H,64,72)(H,65,71)(H,73,74)(H4,51,52,56)(H4,53,54,57)/t28-,29-,32-,33-,34-,35-,36-,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein				Bioorg Med Chem Lett 12: 2501-5 (2002) BindingDB Entry DOI: 10.7270/Q2CC101N
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151879 (2-{2-[2-(2-{2-[2-(2-Amino-3-methyl-pentanoylamino)...) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C38H60N8O11S/c1-7-21(6)31(40)37(55)44-25(16-29(39)47)34(52)46-28(18-58)36(54)43-26(17-30(48)49)35(53)42-24(15-22-11-9-8-10-12-22)33(51)41-23(13-19(2)3)32(50)45-27(38(56)57)14-20(4)5/h8-12,19-21,23-28,31,58H,7,13-18,40H2,1-6H3,(H2,39,47)(H,41,51)(H,42,53)(H,43,54)(H,44,55)(H,45,50)(H,46,52)(H,48,49)(H,56,57)/t21-,23-,24-,25-,26-,27-,28-,31-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonistic concentration for accessory gene regulator C1 of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151876 (CHEMBL182783 | GVNACSSLF) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C38H60N10O13S/c1-18(2)11-22(33(55)44-24(38(60)61)12-21-9-7-6-8-10-21)42-34(56)25(15-49)45-35(57)26(16-50)46-36(58)27(17-62)47-31(53)20(5)41-32(54)23(13-28(40)51)43-37(59)30(19(3)4)48-29(52)14-39/h6-10,18-20,22-27,30,49-50,62H,11-17,39H2,1-5H3,(H2,40,51)(H,41,54)(H,42,56)(H,43,59)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,52)(H,60,61)/t20-,22-,23-,24-,25-,26-,27-,30-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to antagonise accessory gene regulator C4 of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151873 (2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C43H62N8O11S2/c1-6-23(3)34-41(60)46-30(17-18-63-5)43(62)64-22-33(40(59)45-29(7-2)37(56)47-31(38(57)50-34)20-25-11-9-8-10-12-25)49-42(61)35(24(4)53)51-39(58)32(21-52)48-36(55)28(44)19-26-13-15-27(54)16-14-26/h8-16,23-24,28-35,52-54H,6-7,17-22,44H2,1-5H3,(H,45,59)(H,46,60)(H,47,56)(H,48,55)(H,49,61)(H,50,57)(H,51,58)/t23-,24+,28-,29?,30+,31+,32-,33-,34-,35-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151879 (2-{2-[2-(2-{2-[2-(2-Amino-3-methyl-pentanoylamino)...) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C38H60N8O11S/c1-7-21(6)31(40)37(55)44-25(16-29(39)47)34(52)46-28(18-58)36(54)43-26(17-30(48)49)35(53)42-24(15-22-11-9-8-10-12-22)33(51)41-23(13-19(2)3)32(50)45-27(38(56)57)14-20(4)5/h8-12,19-21,23-28,31,58H,7,13-18,40H2,1-6H3,(H2,39,47)(H,41,51)(H,42,53)(H,43,54)(H,44,55)(H,45,50)(H,46,52)(H,48,49)(H,56,57)/t21-,23-,24-,25-,26-,27-,28-,31-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to antagonise accessory gene regulator C4 of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50117487 (CHEMBL216619 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-(D)-P...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H]([C@@H](OC(C)=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C50H83N17O11/c1-7-28(4)38(47(75)67-39(48(76)77)40(78-30(6)68)31-15-9-8-10-16-31)66-46(74)37(23-27(2)3)65-45(73)36(19-14-22-59-50(55)56)64-44(72)35(18-13-21-58-49(53)54)63-43(71)34(17-11-12-20-51)62-41(69)29(5)61-42(70)33(52)24-32-25-57-26-60-32/h8-10,15-16,25-29,33-40H,7,11-14,17-24,51-52H2,1-6H3,(H,57,60)(H,61,70)(H,62,69)(H,63,71)(H,64,72)(H,65,73)(H,66,74)(H,67,75)(H,76,77)(H4,53,54,58)(H4,55,56,59)/t28-,29-,33-,34-,35-,36-,37-,38-,39+,40-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein				Bioorg Med Chem Lett 12: 2501-5 (2002) BindingDB Entry DOI: 10.7270/Q2CC101N
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151871 (2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...) Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CSC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C40H56N8O13S/c1-20(2)13-26-34(55)43-27(15-22-7-5-4-6-8-22)40(61)62-19-31(38(59)46-29(17-50)36(57)45-28(16-49)35(56)42-26)47-39(60)32(21(3)52)48-37(58)30(18-51)44-33(54)25(41)14-23-9-11-24(53)12-10-23/h4-12,20-21,25-32,49-53H,13-19,41H2,1-3H3,(H,42,56)(H,43,55)(H,44,54)(H,45,57)(H,46,59)(H,47,60)(H,48,58)/t21-,25+,26-,27+,28+,29-,30+,31-,32+/m1/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151878 (2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C42H60N8O11S2/c1-6-22(2)33-40(59)45-29(16-17-62-5)42(61)63-21-32(39(58)44-23(3)35(54)46-30(37(56)49-33)19-25-10-8-7-9-11-25)48-41(60)34(24(4)52)50-38(57)31(20-51)47-36(55)28(43)18-26-12-14-27(53)15-13-26/h7-15,22-24,28-34,51-53H,6,16-21,43H2,1-5H3,(H,44,58)(H,45,59)(H,46,54)(H,47,55)(H,48,60)(H,49,56)(H,50,57)/t22-,23-,24+,28-,29+,30-,31-,32-,33-,34-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151878 (2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C42H60N8O11S2/c1-6-22(2)33-40(59)45-29(16-17-62-5)42(61)63-21-32(39(58)44-23(3)35(54)46-30(37(56)49-33)19-25-10-8-7-9-11-25)48-41(60)34(24(4)52)50-38(57)31(20-51)47-36(55)28(43)18-26-12-14-27(53)15-13-26/h7-15,22-24,28-34,51-53H,6,16-21,43H2,1-5H3,(H,44,58)(H,45,59)(H,46,54)(H,47,55)(H,48,60)(H,49,56)(H,50,57)/t22-,23-,24+,28-,29+,30-,31-,32-,33-,34-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151883 (CHEMBL276191 | N-[9-Benzyl-6-sec-butyl-12-methyl-3...) Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](CSC(=O)[C@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CCCOc1ccc(Cc2ccccc2)cc1)[C@@H](C)O Show InChI InChI=1S/C50H67N7O11S2/c1-6-30(2)42-48(65)53-37(23-25-69-5)50(67)70-29-40(47(64)51-31(3)44(61)54-38(45(62)56-42)27-34-16-11-8-12-17-34)55-49(66)43(32(4)59)57-46(63)39(28-58)52-41(60)18-13-24-68-36-21-19-35(20-22-36)26-33-14-9-7-10-15-33/h7-12,14-17,19-22,30-32,37-40,42-43,58-59H,6,13,18,23-29H2,1-5H3,(H,51,64)(H,52,60)(H,53,65)(H,54,61)(H,55,66)(H,56,62)(H,57,63)/t30-,31+,32+,37-,38-,39-,40+,42+,43-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50117499 (CHEMBL412632 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-(D)-P...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H]([C@@H](O)c1ccccc1)C(O)=O Show InChI InChI=1S/C48H81N17O10/c1-6-27(4)36(45(73)65-37(46(74)75)38(66)29-14-8-7-9-15-29)64-44(72)35(22-26(2)3)63-43(71)34(18-13-21-57-48(53)54)62-42(70)33(17-12-20-56-47(51)52)61-41(69)32(16-10-11-19-49)60-39(67)28(5)59-40(68)31(50)23-30-24-55-25-58-30/h7-9,14-15,24-28,31-38,66H,6,10-13,16-23,49-50H2,1-5H3,(H,55,58)(H,59,68)(H,60,67)(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H,65,73)(H,74,75)(H4,51,52,56)(H4,53,54,57)/t27-,28-,31-,32-,33-,34-,35-,36-,37+,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein				Bioorg Med Chem Lett 12: 2501-5 (2002) BindingDB Entry DOI: 10.7270/Q2CC101N
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151872 (2-{2-[4-(4-Benzoyl-phenoxy)-butyrylamino]-3-hydrox...) Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](CSC(=O)[C@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CCCOc1ccc(cc1)C(=O)c1ccccc1)[C@@H](C)O Show InChI InChI=1S/C50H65N7O12S2/c1-6-29(2)41-48(66)53-36(23-25-70-5)50(68)71-28-39(47(65)51-30(3)44(62)54-37(45(63)56-41)26-32-14-9-7-10-15-32)55-49(67)42(31(4)59)57-46(64)38(27-58)52-40(60)18-13-24-69-35-21-19-34(20-22-35)43(61)33-16-11-8-12-17-33/h7-12,14-17,19-22,29-31,36-39,41-42,58-59H,6,13,18,23-28H2,1-5H3,(H,51,65)(H,52,60)(H,53,66)(H,54,62)(H,55,67)(H,56,63)(H,57,64)/t29-,30+,31+,36-,37-,38-,39+,41+,42-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	303	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151872 (2-{2-[4-(4-Benzoyl-phenoxy)-butyrylamino]-3-hydrox...) Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](CSC(=O)[C@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CCCOc1ccc(cc1)C(=O)c1ccccc1)[C@@H](C)O Show InChI InChI=1S/C50H65N7O12S2/c1-6-29(2)41-48(66)53-36(23-25-70-5)50(68)71-28-39(47(65)51-30(3)44(62)54-37(45(63)56-41)26-32-14-9-7-10-15-32)55-49(67)42(31(4)59)57-46(64)38(27-58)52-40(60)18-13-24-69-35-21-19-34(20-22-35)43(61)33-16-11-8-12-17-33/h7-12,14-17,19-22,29-31,36-39,41-42,58-59H,6,13,18,23-28H2,1-5H3,(H,51,65)(H,52,60)(H,53,66)(H,54,62)(H,55,67)(H,56,63)(H,57,64)/t29-,30+,31+,36-,37-,38-,39+,41+,42-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	303	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50117495 (CHEMBL385674 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-(L)-P...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]([C@H](OC(C)=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C50H83N17O11/c1-7-28(4)38(47(75)67-39(48(76)77)40(78-30(6)68)31-15-9-8-10-16-31)66-46(74)37(23-27(2)3)65-45(73)36(19-14-22-59-50(55)56)64-44(72)35(18-13-21-58-49(53)54)63-43(71)34(17-11-12-20-51)62-41(69)29(5)61-42(70)33(52)24-32-25-57-26-60-32/h8-10,15-16,25-29,33-40H,7,11-14,17-24,51-52H2,1-6H3,(H,57,60)(H,61,70)(H,62,69)(H,63,71)(H,64,72)(H,65,73)(H,66,74)(H,67,75)(H,76,77)(H4,53,54,58)(H4,55,56,59)/t28-,29-,33-,34-,35-,36-,37-,38-,39-,40+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein				Bioorg Med Chem Lett 12: 2501-5 (2002) BindingDB Entry DOI: 10.7270/Q2CC101N
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50117494 (CHEMBL267588 | H-His-Ser-Lys-Arg-Arg-Leu-Ile-(L)-P...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](CO)Cc1ccccc1 Show InChI InChI=1S/C48H83N17O9/c1-5-29(4)39(46(74)59-32(25-66)22-30-13-7-6-8-14-30)65-44(72)37(21-28(2)3)63-43(71)36(17-12-20-57-48(53)54)61-42(70)35(16-11-19-56-47(51)52)60-41(69)34(15-9-10-18-49)62-45(73)38(26-67)64-40(68)33(50)23-31-24-55-27-58-31/h6-8,13-14,24,27-29,32-39,66-67H,5,9-12,15-23,25-26,49-50H2,1-4H3,(H,55,58)(H,59,74)(H,60,69)(H,61,70)(H,62,73)(H,63,71)(H,64,68)(H,65,72)(H4,51,52,56)(H4,53,54,57)/t29-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein				Bioorg Med Chem Lett 12: 2501-5 (2002) BindingDB Entry DOI: 10.7270/Q2CC101N
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50117497 (CHEMBL266900 | H-His-Ser-Lys-Arg-Arg-Leu-Ile-(L)-P...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]([C@H](O)c1ccccc1)C(O)=O Show InChI InChI=1S/C48H81N17O11/c1-5-27(4)36(45(74)65-37(46(75)76)38(67)28-13-7-6-8-14-28)64-43(72)34(21-26(2)3)62-42(71)33(17-12-20-57-48(53)54)60-41(70)32(16-11-19-56-47(51)52)59-40(69)31(15-9-10-18-49)61-44(73)35(24-66)63-39(68)30(50)22-29-23-55-25-58-29/h6-8,13-14,23,25-27,30-38,66-67H,5,9-12,15-22,24,49-50H2,1-4H3,(H,55,58)(H,59,69)(H,60,70)(H,61,73)(H,62,71)(H,63,68)(H,64,72)(H,65,74)(H,75,76)(H4,51,52,56)(H4,53,54,57)/t27-,30-,31-,32-,33-,34-,35-,36-,37-,38+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein				Bioorg Med Chem Lett 12: 2501-5 (2002) BindingDB Entry DOI: 10.7270/Q2CC101N
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50117498 (CHEMBL415127 | H-His-Ser-Lys-Arg-Arg-Leu-Ile-(D)-P...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H]([C@@H](O)c1ccccc1)C(O)=O Show InChI InChI=1S/C48H81N17O11/c1-5-27(4)36(45(74)65-37(46(75)76)38(67)28-13-7-6-8-14-28)64-43(72)34(21-26(2)3)62-42(71)33(17-12-20-57-48(53)54)60-41(70)32(16-11-19-56-47(51)52)59-40(69)31(15-9-10-18-49)61-44(73)35(24-66)63-39(68)30(50)22-29-23-55-25-58-29/h6-8,13-14,23,25-27,30-38,66-67H,5,9-12,15-22,24,49-50H2,1-4H3,(H,55,58)(H,59,69)(H,60,70)(H,61,73)(H,62,71)(H,63,68)(H,64,72)(H,65,74)(H,75,76)(H4,51,52,56)(H4,53,54,57)/t27-,30-,31-,32-,33-,34-,35-,36-,37+,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein				Bioorg Med Chem Lett 12: 2501-5 (2002) BindingDB Entry DOI: 10.7270/Q2CC101N
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50117491 (CHEMBL263837 | H-His-Ser-Lys-Arg-Arg-Leu-Ile-(Z)-D...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NC(=Cc1ccccc1)C(O)=O |w:65.66| Show InChI InChI=1S/C48H79N17O10/c1-5-28(4)38(45(73)63-36(46(74)75)22-29-13-7-6-8-14-29)65-43(71)35(21-27(2)3)62-42(70)34(17-12-20-57-48(53)54)60-41(69)33(16-11-19-56-47(51)52)59-40(68)32(15-9-10-18-49)61-44(72)37(25-66)64-39(67)31(50)23-30-24-55-26-58-30/h6-8,13-14,22,24,26-28,31-35,37-38,66H,5,9-12,15-21,23,25,49-50H2,1-4H3,(H,55,58)(H,59,68)(H,60,69)(H,61,72)(H,62,70)(H,63,73)(H,64,67)(H,65,71)(H,74,75)(H4,51,52,56)(H4,53,54,57)/t28-,31-,32-,33-,34-,35-,37-,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein				Bioorg Med Chem Lett 12: 2501-5 (2002) BindingDB Entry DOI: 10.7270/Q2CC101N
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50117493 (CHEMBL2369934 | H-His-Ser-Lys-Arg-Arg-Leu-Ile-Phe-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:4.4,38.43,16.23,53.53,2.2,wD:47.49,8.12,27.34,64.64,(19.9,-.05,;19.9,-1.61,;18.56,-2.39,;17.23,-1.62,;18.59,-3.93,;17.23,-4.71,;15.9,-3.93,;15.9,-2.39,;14.57,-4.72,;14.57,-6.26,;15.64,-7.35,;15.25,-8.83,;17.14,-6.94,;13.24,-3.95,;11.9,-4.72,;11.9,-6.26,;10.57,-3.96,;10.57,-2.41,;11.65,-1.31,;11.65,.23,;12.98,1.01,;12.98,2.55,;11.64,3.32,;14.31,3.33,;9.24,-4.73,;7.88,-3.96,;7.88,-2.42,;6.55,-4.74,;6.55,-6.29,;7.88,-7.06,;7.88,-8.6,;9.22,-9.37,;9.19,-10.91,;7.86,-11.67,;10.52,-11.69,;5.22,-3.97,;3.89,-4.74,;3.89,-6.29,;2.56,-3.97,;2.53,-2.43,;3.86,-1.66,;3.86,-.12,;5.2,.67,;5.17,2.21,;1.2,-4.74,;-.13,-3.96,;-.11,-2.42,;-1.46,-4.72,;-1.46,-6.26,;-.39,-7.35,;-2.8,-3.95,;-4.13,-4.71,;-4.15,-6.25,;-5.46,-3.93,;-6.79,-4.7,;-5.46,-2.39,;-6.79,-1.62,;-8.2,-2.24,;-9.22,-1.1,;-8.45,.23,;-6.96,-.08,;19.92,-4.7,;19.9,-6.19,;21.25,-3.93,;22.58,-4.7,;22.58,-6.24,;23.33,-7.57,;24.87,-7.57,;25.62,-8.89,;24.85,-10.22,;23.33,-10.22,;22.56,-8.89,;23.92,-3.91,;25.25,-4.67,;23.92,-2.37,)| Show InChI InChI=1S/C48H82N18O9/c1-5-28(4)38(46(75)63-35(39(51)68)22-29-13-7-6-8-14-29)66-44(73)36(21-27(2)3)64-43(72)34(17-12-20-58-48(54)55)61-42(71)33(16-11-19-57-47(52)53)60-41(70)32(15-9-10-18-49)62-45(74)37(25-67)65-40(69)31(50)23-30-24-56-26-59-30/h6-8,13-14,24,26-28,31-38,67H,5,9-12,15-23,25,49-50H2,1-4H3,(H2,51,68)(H,56,59)(H,60,70)(H,61,71)(H,62,74)(H,63,75)(H,64,72)(H,65,69)(H,66,73)(H4,52,53,57)(H4,54,55,58)/t28-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein				Bioorg Med Chem Lett 12: 2501-5 (2002) BindingDB Entry DOI: 10.7270/Q2CC101N
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50548232 (CHEMBL4758313) Show SMILES CC(=O)[C@@H](N)CN[C@@H](CN[C@@H](CC(O)=O)C(O)=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Klebsiella pneumoniae NDM-1				Citation and Details Article DOI: 10.1016/j.ejmech.2018.06.007 BindingDB Entry DOI: 10.7270/Q2SB49CC
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151875 (CHEMBL369309 | N-(3-Benzyl-9,12-bis-hydroxymethyl-...) Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CSC(=O)[C@H](Cc2ccccc2)NC1=O)NC(C)=O Show InChI InChI=1S/C26H37N5O8S/c1-14(2)9-17-22(35)29-18(10-16-7-5-4-6-8-16)26(39)40-13-21(27-15(3)34)25(38)31-20(12-33)24(37)30-19(11-32)23(36)28-17/h4-8,14,17-21,32-33H,9-13H2,1-3H3,(H,27,34)(H,28,36)(H,29,35)(H,30,37)(H,31,38)/t17-,18+,19+,20-,21-/m1/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151875 (CHEMBL369309 | N-(3-Benzyl-9,12-bis-hydroxymethyl-...) Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CSC(=O)[C@H](Cc2ccccc2)NC1=O)NC(C)=O Show InChI InChI=1S/C26H37N5O8S/c1-14(2)9-17-22(35)29-18(10-16-7-5-4-6-8-16)26(39)40-13-21(27-15(3)34)25(38)31-20(12-33)24(37)30-19(11-32)23(36)28-17/h4-8,14,17-21,32-33H,9-13H2,1-3H3,(H,27,34)(H,28,36)(H,29,35)(H,30,37)(H,31,38)/t17-,18+,19+,20-,21-/m1/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50351512 (CHEMBL8483) Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |r| Show InChI InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus RN6390B Agr-mediated RNA3 promoter activation measured up to 6 hrs by Northern blot analysis				J Med Chem 56: 1389-404 (2013) Article DOI: 10.1021/jm3014635 BindingDB Entry DOI: 10.7270/Q2BV7J0M
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151880 (CHEMBL426697 | YSTCYFIM) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(O)=O Show InChI InChI=1S/C48H66N8O13S2/c1-5-26(2)39(46(66)50-34(48(68)69)19-20-71-4)55-43(63)36(22-28-9-7-6-8-10-28)51-42(62)35(23-30-13-17-32(60)18-14-30)52-45(65)38(25-70)54-47(67)40(27(3)58)56-44(64)37(24-57)53-41(61)33(49)21-29-11-15-31(59)16-12-29/h6-18,26-27,33-40,57-60,70H,5,19-25,49H2,1-4H3,(H,50,66)(H,51,62)(H,52,65)(H,53,61)(H,54,67)(H,55,63)(H,56,64)(H,68,69)/t26-,27+,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonistic concentration for accessory gene regulator C1 of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50151881 (CHEMBL362839 | Cyclo(Ac-Cys-Asp-Phe-Ile-Met)) Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSC(=O)[C@H](CCSC)NC1=O)NC(C)=O Show InChI InChI=1S/C29H41N5O8S2/c1-5-16(2)24-28(41)31-19(11-12-43-4)29(42)44-15-22(30-17(3)35)27(40)33-21(14-23(36)37)25(38)32-20(26(39)34-24)13-18-9-7-6-8-10-18/h6-10,16,19-22,24H,5,11-15H2,1-4H3,(H,30,35)(H,31,41)(H,32,38)(H,33,40)(H,34,39)(H,36,37)/t16-,19-,20-,21+,22+,24+/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
					More data for this Ligand-Target Pair
HTH-type transcriptional regulator MgrA (Staphylococcus aureus)	BDBM11979 (5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...) Show SMILES OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O Show InChI InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Newman His6-tagged MgrA expressed in Escherichia coli BL21(DE3) using 5'-6-F-TAAACAACAAGTTGTCCAAA-3' as substrate...				J Med Chem 56: 1389-404 (2013) Article DOI: 10.1021/jm3014635 BindingDB Entry DOI: 10.7270/Q2BV7J0M
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50548231 (CHEMBL4753599) Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6]-[#6]-n1[se;v2]c2ccccc2c1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type N-terminal His6-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21 using nitrocefin as substrate measured ...				Citation and Details Article DOI: 10.1016/j.ejmech.2018.06.007 BindingDB Entry DOI: 10.7270/Q2SB49CC
					More data for this Ligand-Target Pair
HTH-type transcriptional regulator MgrA (Staphylococcus aureus)	BDBM81554 (MgrA inhibitor, 3) Show SMILES Cc1ccc(C)n1[C@@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C18H20N2O2/c1-12-7-8-13(2)20(12)15(10-18(21)22)9-14-11-19-17-6-4-3-5-16(14)17/h3-8,11,15,19H,9-10H2,1-2H3,(H,21,22)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Newman His6-tagged MgrA expressed in Escherichia coli BL21(DE3) using 5'-6-F-TAAACAACAAGTTGTCCAAA-3' as substrate...				J Med Chem 56: 1389-404 (2013) Article DOI: 10.1021/jm3014635 BindingDB Entry DOI: 10.7270/Q2BV7J0M
					More data for this Ligand-Target Pair
HTH-type transcriptional regulator MgrA (Staphylococcus aureus)	BDBM81553 (MgrA inhibitor, 2) Show SMILES Cc1ccc(C)n1[C@@H](CC(O)=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C16H17NO4/c1-10-3-4-11(2)17(10)13(8-16(18)19)12-5-6-14-15(7-12)21-9-20-14/h3-7,13H,8-9H2,1-2H3,(H,18,19)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Newman His6-tagged MgrA expressed in Escherichia coli BL21(DE3) using 5'-6-F-TAAACAACAAGTTGTCCAAA-3' as substrate...				J Med Chem 56: 1389-404 (2013) Article DOI: 10.1021/jm3014635 BindingDB Entry DOI: 10.7270/Q2BV7J0M
					More data for this Ligand-Target Pair
HTH-type transcriptional regulator MgrA (Staphylococcus aureus)	BDBM81555 (MgrA inhibitor, 4) Show SMILES Cc1ccc(C)n1[C@@H](CC(O)=O)c1ccsc1 |r| Show InChI InChI=1S/C13H15NO2S/c1-9-3-4-10(2)14(9)12(7-13(15)16)11-5-6-17-8-11/h3-6,8,12H,7H2,1-2H3,(H,15,16)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Newman His6-tagged MgrA expressed in Escherichia coli BL21(DE3) using 5'-6-F-TAAACAACAAGTTGTCCAAA-3' as substrate...				J Med Chem 56: 1389-404 (2013) Article DOI: 10.1021/jm3014635 BindingDB Entry DOI: 10.7270/Q2BV7J0M
					More data for this Ligand-Target Pair

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