Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Ribonucleoside-diphosphate reductase subunit alpha'   

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
Ribonucleoside-diphosphate reductase subunit alpha (Mycobacterium tuberculosis)	BDBM50431418 (CHEMBL2348058) Show SMILES OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)Nc1cccc2CN(CC(=O)N[C@@H](Cc3ccccc3)C(O)=O)C(=O)[C@H](Cc3c[nH]c4ccccc34)Nc12 |r| Show InChI InChI=1S/C48H44N6O9/c55-42(50-41(47(60)61)21-28-11-2-1-3-12-28)26-54-25-29-13-10-20-38(44(29)51-40(46(54)59)22-30-24-49-37-19-9-8-14-31(30)37)52-45(58)39(23-43(56)57)53-48(62)63-27-36-34-17-6-4-15-32(34)33-16-5-7-18-35(33)36/h1-20,24,36,39-41,49,51H,21-23,25-27H2,(H,50,55)(H,52,58)(H,53,62)(H,56,57)(H,60,61)/t39-,40-,41-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of Dansyl-Gly-Ser-Gly-Glu-Asp-Asp-Asp-Trp-Asp-Phe from C-terminal R1 subunit of Mycobacterium tuberculosis ribonucleotide reductase by f...				Bioorg Med Chem 21: 1992-2000 (2013) Article DOI: 10.1016/j.bmc.2013.01.020 BindingDB Entry DOI: 10.7270/Q2T43VG6
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase subunit alpha (Mycobacterium tuberculosis)	BDBM50431417 (CHEMBL2348059) Show SMILES OC(=O)CN1Cc2cccc(NC(=O)OCC3c4ccccc4-c4ccccc34)c2N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r| Show InChI InChI=1S/C35H30N4O5/c40-32(41)19-39-18-21-8-7-15-30(33(21)37-31(34(39)42)16-22-17-36-29-14-6-5-9-23(22)29)38-35(43)44-20-28-26-12-3-1-10-24(26)25-11-2-4-13-27(25)28/h1-15,17,28,31,36-37H,16,18-20H2,(H,38,43)(H,40,41)/t31-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of Dansyl-Gly-Ser-Gly-Glu-Asp-Asp-Asp-Trp-Asp-Phe from C-terminal R1 subunit of Mycobacterium tuberculosis ribonucleotide reductase by f...				Bioorg Med Chem 21: 1992-2000 (2013) Article DOI: 10.1016/j.bmc.2013.01.020 BindingDB Entry DOI: 10.7270/Q2T43VG6
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase subunit alpha (Mycobacterium tuberculosis)	BDBM50431422 (CHEMBL2348054) Show SMILES CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C43H50N8O19/c1-20(52)45-25(11-12-32(53)54)37(63)47-27(15-33(55)56)40(66)50-29(17-35(59)60)41(67)49-28(16-34(57)58)39(65)46-26(14-22-19-44-24-10-6-5-9-23(22)24)38(64)48-30(18-36(61)62)42(68)51-31(43(69)70)13-21-7-3-2-4-8-21/h2-10,19,25-31,44H,11-18H2,1H3,(H,45,52)(H,46,65)(H,47,63)(H,48,64)(H,49,67)(H,50,66)(H,51,68)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,69,70)/t25-,26-,27-,28-,29-,30-,31-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of Dansyl-Gly-Ser-Gly-Glu-Asp-Asp-Asp-Trp-Asp-Phe from C-terminal R1 subunit of Mycobacterium tuberculosis ribonucleotide reductase by f...				Bioorg Med Chem 21: 1992-2000 (2013) Article DOI: 10.1016/j.bmc.2013.01.020 BindingDB Entry DOI: 10.7270/Q2T43VG6
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase subunit alpha (Mycobacterium tuberculosis)	BDBM50431416 (CHEMBL2348060) Show SMILES OCCN1Cc2cccc(NC(=O)OCC3c4ccccc4-c4ccccc34)c2N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r| Show InChI InChI=1S/C35H32N4O4/c40-17-16-39-20-22-8-7-15-31(33(22)37-32(34(39)41)18-23-19-36-30-14-6-5-9-24(23)30)38-35(42)43-21-29-27-12-3-1-10-25(27)26-11-2-4-13-28(26)29/h1-15,19,29,32,36-37,40H,16-18,20-21H2,(H,38,42)/t32-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of Dansyl-Gly-Ser-Gly-Glu-Asp-Asp-Asp-Trp-Asp-Phe from C-terminal R1 subunit of Mycobacterium tuberculosis ribonucleotide reductase by f...				Bioorg Med Chem 21: 1992-2000 (2013) Article DOI: 10.1016/j.bmc.2013.01.020 BindingDB Entry DOI: 10.7270/Q2T43VG6
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase subunit alpha (Mycobacterium tuberculosis)	BDBM50431420 (CHEMBL2348056) Show SMILES CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)Nc1cccc2CN(CC(=O)N[C@@H](Cc3ccccc3)C(O)=O)C(=O)[C@H](Cc3c[nH]c4ccccc34)Nc12 |r| Show InChI InChI=1S/C48H53N9O17/c1-24(58)50-31(14-15-38(60)61)43(68)54-33(19-40(64)65)45(70)56-34(20-41(66)67)46(71)55-32(18-39(62)63)44(69)53-30-13-7-10-26-22-57(23-37(59)51-36(48(73)74)16-25-8-3-2-4-9-25)47(72)35(52-42(26)30)17-27-21-49-29-12-6-5-11-28(27)29/h2-13,21,31-36,49,52H,14-20,22-23H2,1H3,(H,50,58)(H,51,59)(H,53,69)(H,54,68)(H,55,71)(H,56,70)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,73,74)/t31-,32-,33-,34-,35-,36-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of Dansyl-Gly-Ser-Gly-Glu-Asp-Asp-Asp-Trp-Asp-Phe from C-terminal R1 subunit of Mycobacterium tuberculosis ribonucleotide reductase by f...				Bioorg Med Chem 21: 1992-2000 (2013) Article DOI: 10.1016/j.bmc.2013.01.020 BindingDB Entry DOI: 10.7270/Q2T43VG6
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase subunit alpha (Mycobacterium tuberculosis)	BDBM50431421 (CHEMBL2348055) Show SMILES CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)Nc1cccc2CN(CC(=O)N[C@@H](Cc3ccccc3)C(O)=O)C(=O)[C@H](Cc3c[nH]c4ccccc34)Nc12 |r| Show InChI InChI=1S/C44H48N8O14/c1-23(53)46-30(14-15-36(55)56)40(61)50-32(19-38(59)60)42(63)51-31(18-37(57)58)41(62)49-29-13-7-10-25-21-52(22-35(54)47-34(44(65)66)16-24-8-3-2-4-9-24)43(64)33(48-39(25)29)17-26-20-45-28-12-6-5-11-27(26)28/h2-13,20,30-34,45,48H,14-19,21-22H2,1H3,(H,46,53)(H,47,54)(H,49,62)(H,50,61)(H,51,63)(H,55,56)(H,57,58)(H,59,60)(H,65,66)/t30-,31-,32-,33-,34-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of Dansyl-Gly-Ser-Gly-Glu-Asp-Asp-Asp-Trp-Asp-Phe from C-terminal R1 subunit of Mycobacterium tuberculosis ribonucleotide reductase by f...				Bioorg Med Chem 21: 1992-2000 (2013) Article DOI: 10.1016/j.bmc.2013.01.020 BindingDB Entry DOI: 10.7270/Q2T43VG6
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase subunit alpha (Mycobacterium tuberculosis)	BDBM50431419 (CHEMBL2348057) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)Nc1cccc2CN(CC(=O)N[C@@H](Cc3ccccc3)C(O)=O)C(=O)[C@H](Cc3c[nH]c4ccccc34)Nc12 |r| Show InChI InChI=1S/C35H36N6O8/c1-20(42)37-27(16-31(44)45)33(46)40-26-13-7-10-22-18-41(19-30(43)38-29(35(48)49)14-21-8-3-2-4-9-21)34(47)28(39-32(22)26)15-23-17-36-25-12-6-5-11-24(23)25/h2-13,17,27-29,36,39H,14-16,18-19H2,1H3,(H,37,42)(H,38,43)(H,40,46)(H,44,45)(H,48,49)/t27-,28-,29-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of Dansyl-Gly-Ser-Gly-Glu-Asp-Asp-Asp-Trp-Asp-Phe from C-terminal R1 subunit of Mycobacterium tuberculosis ribonucleotide reductase by f...				Bioorg Med Chem 21: 1992-2000 (2013) Article DOI: 10.1016/j.bmc.2013.01.020 BindingDB Entry DOI: 10.7270/Q2T43VG6
					More data for this Ligand-Target Pair