Found 415 hits of ic50 for UniProtKB: P23921 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 |
|---|
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50053967
((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[3-(1-ethyl-p...)Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)(C)C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C31H54N6O9/c1-9-18(10-2)32-29(46)36-24(31(6,7)8)27(43)34-19(15-22(38)37-13-11-12-14-37)25(41)33-20(16-23(39)40)26(42)35-21(28(44)45)17-30(3,4)5/h18-21,24H,9-17H2,1-8H3,(H,33,41)(H,34,43)(H,35,42)(H,39,40)(H,44,45)(H2,32,36,46)/t19-,20-,21-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme. |
J Med Chem 39: 4173-80 (1996)
Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033458
((S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-(2-Benzyl-3-phen...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(Cc1ccccc1)Cc1ccccc1)C(C)C)C(C)C)C(O)=O Show InChI InChI=1S/C44H62N6O10/c1-26(2)21-34(44(59)60)47-41(56)33(25-36(52)53)45-40(55)32(24-35(51)50-19-13-14-20-50)46-42(57)37(27(3)4)49-43(58)38(28(5)6)48-39(54)31(22-29-15-9-7-10-16-29)23-30-17-11-8-12-18-30/h7-12,15-18,26-28,31-34,37-38H,13-14,19-25H2,1-6H3,(H,45,55)(H,46,57)(H,47,56)(H,48,54)(H,49,58)(H,52,53)(H,59,60)/t32-,33-,34-,37-,38-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033457
(1-[(S)-((S)-1-Carboxy-3-methyl-butylcarbamoyl)-((S...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)C)C(C)C)C1(CCCC1)C(O)=O)C(O)=O Show InChI InChI=1S/C41H62N6O10/c1-24(2)22-29(39(54)55)43-38(53)34(41(40(56)57)18-10-11-19-41)46-35(50)28(23-31(49)47-20-12-13-21-47)42-36(51)33(26(5)6)45-37(52)32(25(3)4)44-30(48)17-16-27-14-8-7-9-15-27/h7-9,14-15,24-26,28-29,32-34H,10-13,16-23H2,1-6H3,(H,42,51)(H,43,53)(H,44,48)(H,45,52)(H,46,50)(H,54,55)(H,56,57)/t28-,29-,32-,33-,34+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50369164
(CHEMBL1169533)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@H](NC(=O)NC1[C@@H](C)CCC[C@H]1C)C(C)C)C(O)=O |r| Show InChI InChI=1S/C32H54N6O9/c1-17(2)14-23(31(45)46)35-29(43)22(16-25(40)41)33-28(42)21(15-24(39)38-12-7-8-13-38)34-30(44)26(18(3)4)36-32(47)37-27-19(5)10-9-11-20(27)6/h17-23,26-27H,7-16H2,1-6H3,(H,33,42)(H,34,44)(H,35,43)(H,40,41)(H,45,46)(H2,36,37,47)/t19-,20+,21-,22+,23+,26+,27?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme. |
J Med Chem 39: 4173-80 (1996)
Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50369164
(CHEMBL1169533)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@H](NC(=O)NC1[C@@H](C)CCC[C@H]1C)C(C)C)C(O)=O |r| Show InChI InChI=1S/C32H54N6O9/c1-17(2)14-23(31(45)46)35-29(43)22(16-25(40)41)33-28(42)21(15-24(39)38-12-7-8-13-38)34-30(44)26(18(3)4)36-32(47)37-27-19(5)10-9-11-20(27)6/h17-23,26-27H,7-16H2,1-6H3,(H,33,42)(H,34,44)(H,35,43)(H,40,41)(H,45,46)(H2,36,37,47)/t19-,20+,21-,22+,23+,26+,27?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme. |
J Med Chem 39: 4173-80 (1996)
Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50050831
((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[3-(1-ethyl-p...)Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C30H52N6O9/c1-8-18(9-2)31-29(45)35-24(30(5,6)7)27(42)33-19(15-22(37)36-12-10-11-13-36)25(40)32-20(16-23(38)39)26(41)34-21(28(43)44)14-17(3)4/h17-21,24H,8-16H2,1-7H3,(H,32,40)(H,33,42)(H,34,41)(H,38,39)(H,43,44)(H2,31,35,45)/t19-,20-,21-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme. |
J Med Chem 39: 4173-80 (1996)
Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50053968
((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[3-(1-ethyl-p...)Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C30H53N5O9/c1-11-17(12-2)31-28(44)35-23(30(8,9)10)26(41)33-18(14-21(36)29(5,6)7)24(39)32-19(15-22(37)38)25(40)34-20(27(42)43)13-16(3)4/h16-20,23H,11-15H2,1-10H3,(H,32,39)(H,33,41)(H,34,40)(H,37,38)(H,42,43)(H2,31,35,44)/t18-,19-,20-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme. |
J Med Chem 39: 4173-80 (1996)
Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033463
((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-3,3-dimethyl-2-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)C)C(C)(C)C)C(O)=O Show InChI InChI=1S/C38H58N6O10/c1-22(2)19-27(37(53)54)41-34(50)26(21-30(47)48)39-33(49)25(20-29(46)44-17-11-12-18-44)40-36(52)32(38(5,6)7)43-35(51)31(23(3)4)42-28(45)16-15-24-13-9-8-10-14-24/h8-10,13-14,22-23,25-27,31-32H,11-12,15-21H2,1-7H3,(H,39,49)(H,40,52)(H,41,50)(H,42,45)(H,43,51)(H,47,48)(H,53,54)/t25-,26-,27-,31-,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033465
((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-3-methyl-2-[(S)...)Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)(C)C)C(O)=O Show InChI InChI=1S/C38H58N6O10/c1-22(2)31(42-28(45)16-15-24-13-9-8-10-14-24)36(52)43-32(23(3)4)35(51)40-25(19-29(46)44-17-11-12-18-44)33(49)39-26(20-30(47)48)34(50)41-27(37(53)54)21-38(5,6)7/h8-10,13-14,22-23,25-27,31-32H,11-12,15-21H2,1-7H3,(H,39,49)(H,40,51)(H,41,50)(H,42,45)(H,43,52)(H,47,48)(H,53,54)/t25-,26-,27-,31-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50053981
((S)-2-((S)-3-Carboxy-2-{(2R,5S)-2-(3,3-dimethyl-2-...)Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)C[C@@H](CC(=O)C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C31H54N4O9/c1-11-19(12-2)32-29(44)35-25(31(8,9)10)22(36)14-18(15-23(37)30(5,6)7)26(40)33-20(16-24(38)39)27(41)34-21(28(42)43)13-17(3)4/h17-21,25H,11-16H2,1-10H3,(H,33,40)(H,34,41)(H,38,39)(H,42,43)(H2,32,35,44)/t18-,20-,21-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
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 |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme. |
J Med Chem 39: 4173-80 (1996)
Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50053973
((S)-3-((S)-2-{(S)-2-[3-(1-Ethyl-propyl)-ureido]-3,...)Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CO)CC(C)(C)C)C(C)(C)C Show InChI InChI=1S/C31H56N6O8/c1-9-19(10-2)33-29(45)36-25(31(6,7)8)28(44)35-21(15-23(39)37-13-11-12-14-37)27(43)34-22(16-24(40)41)26(42)32-20(18-38)17-30(3,4)5/h19-22,25,38H,9-18H2,1-8H3,(H,32,42)(H,34,43)(H,35,44)(H,40,41)(H2,33,36,45)/t20-,21-,22-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme. |
J Med Chem 39: 4173-80 (1996)
Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033453
(1-((S)-((S)-1-Carboxy-3-methyl-butylcarbamoyl)-{(S...)Show SMILES CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C1(CC=CC1)C(O)=O)C(C)(C)C |c:39| Show InChI InChI=1S/C34H55N5O9/c1-8-21(9-2)27(41)37-25(33(5,6)7)29(43)35-22(19-24(40)39-16-12-13-17-39)28(42)38-26(34(32(47)48)14-10-11-15-34)30(44)36-23(31(45)46)18-20(3)4/h10-11,20-23,25-26H,8-9,12-19H2,1-7H3,(H,35,43)(H,36,44)(H,37,41)(H,38,42)(H,45,46)(H,47,48)/t22-,23-,25+,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50050828
((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-3-methyl-2-[3-(...)Show SMILES CCCC(CCC)NC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C31H54N6O9/c1-7-11-20(12-8-2)32-31(46)36-26(19(5)6)29(43)34-21(16-24(38)37-13-9-10-14-37)27(41)33-22(17-25(39)40)28(42)35-23(30(44)45)15-18(3)4/h18-23,26H,7-17H2,1-6H3,(H,33,41)(H,34,43)(H,35,42)(H,39,40)(H,44,45)(H2,32,36,46)/t21-,22-,23-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme. |
J Med Chem 39: 4173-80 (1996)
Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50053984
((S)-2-{(S)-3-Carboxy-2-[(2S,5S)-5-[3-(1-ethyl-prop...)Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)C[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C31H53N5O9/c1-8-20(9-2)32-30(45)35-26(31(5,6)7)23(37)15-19(16-24(38)36-12-10-11-13-36)27(41)33-21(17-25(39)40)28(42)34-22(29(43)44)14-18(3)4/h18-22,26H,8-17H2,1-7H3,(H,33,41)(H,34,42)(H,39,40)(H,43,44)(H2,32,35,45)/t19-,21-,22-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme. |
J Med Chem 39: 4173-80 (1996)
Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033470
((S)-2-{(S)-3-Carboxy-2-[(S)-2-((S)-3-methyl-2-{(S)...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)CCc1ccccc1)C(C)C)C(O)=O Show InChI InChI=1S/C38H58N6O10/c1-22(2)19-28(38(53)54)41-35(50)27(21-31(47)48)39-34(49)26(20-30(46)44-17-11-12-18-44)40-36(51)32(23(3)4)42-37(52)33(24(5)6)43(7)29(45)16-15-25-13-9-8-10-14-25/h8-10,13-14,22-24,26-28,32-33H,11-12,15-21H2,1-7H3,(H,39,49)(H,40,51)(H,41,50)(H,42,52)(H,47,48)(H,53,54)/t26-,27-,28-,32-,33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50050826
((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[3-(1-ethyl-p...)Show SMILES CCC(CC)NC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C29H50N6O9/c1-7-18(8-2)30-29(44)34-24(17(5)6)27(41)32-19(14-22(36)35-11-9-10-12-35)25(39)31-20(15-23(37)38)26(40)33-21(28(42)43)13-16(3)4/h16-21,24H,7-15H2,1-6H3,(H,31,39)(H,32,41)(H,33,40)(H,37,38)(H,42,43)(H2,30,34,44)/t19-,20-,21-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme. |
J Med Chem 39: 4173-80 (1996)
Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50053962
((S)-N-((R)-1-Ethyl-2,2-dimethyl-propyl)-3-((S)-2-{...)Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C31H56N6O7/c1-10-19(11-2)32-29(44)36-25(31(7,8)9)28(43)34-20(17-23(38)37-15-13-14-16-37)26(41)33-21(18-24(39)40)27(42)35-22(12-3)30(4,5)6/h19-22,25H,10-18H2,1-9H3,(H,33,41)(H,34,43)(H,35,42)(H,39,40)(H2,32,36,44)/t20-,21-,22+,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme. |
J Med Chem 39: 4173-80 (1996)
Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50369165
(CHEMBL1169532)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@H](NC(=O)NC1[C@@H](C)CCC[C@@H]1C)C(C)C)C(O)=O |r| Show InChI InChI=1S/C32H54N6O9/c1-17(2)14-23(31(45)46)35-29(43)22(16-25(40)41)33-28(42)21(15-24(39)38-12-7-8-13-38)34-30(44)26(18(3)4)36-32(47)37-27-19(5)10-9-11-20(27)6/h17-23,26-27H,7-16H2,1-6H3,(H,33,42)(H,34,44)(H,35,43)(H,40,41)(H,45,46)(H2,36,37,47)/t19-,20-,21-,22+,23+,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
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 |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme. |
J Med Chem 39: 4173-80 (1996)
Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM477482
(5-bromo-2-(N-((1S,2R)-2-(6-fluoro-2,3-dimethylphen...)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ncc(Br)cc1C(N)=O)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033456
((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[(S)-2-cycloh...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C1CCCCC1)C(C)C)C(O)=O Show InChI InChI=1S/C40H60N6O10/c1-24(2)21-30(40(55)56)43-37(52)29(23-33(49)50)41-36(51)28(22-32(48)46-19-11-12-20-46)42-38(53)34(25(3)4)45-39(54)35(27-15-9-6-10-16-27)44-31(47)18-17-26-13-7-5-8-14-26/h5,7-8,13-14,24-25,27-30,34-35H,6,9-12,15-23H2,1-4H3,(H,41,51)(H,42,53)(H,43,52)(H,44,47)(H,45,54)(H,49,50)(H,55,56)/t28-,29-,30-,34-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033477
((S)-2-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phe...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(C)C)C(O)=O Show InChI InChI=1S/C41H58N6O10/c1-23(2)18-31(41(56)57)45-37(52)30(22-33(49)50)43-36(51)29(21-32(42)48)44-38(53)34(24(3)4)46-39(54)35(25(5)6)47(7)40(55)28(19-26-14-10-8-11-15-26)20-27-16-12-9-13-17-27/h8-17,23-25,28-31,34-35H,18-22H2,1-7H3,(H2,42,48)(H,43,51)(H,44,53)(H,45,52)(H,46,54)(H,49,50)(H,56,57)/t29-,30-,31-,34-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033462
((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-3-methyl-2-[(S)...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)C)C(C)C)C(O)=O Show InChI InChI=1S/C37H56N6O10/c1-21(2)18-27(37(52)53)40-34(49)26(20-30(46)47)38-33(48)25(19-29(45)43-16-10-11-17-43)39-35(50)32(23(5)6)42-36(51)31(22(3)4)41-28(44)15-14-24-12-8-7-9-13-24/h7-9,12-13,21-23,25-27,31-32H,10-11,14-20H2,1-6H3,(H,38,48)(H,39,50)(H,40,49)(H,41,44)(H,42,51)(H,46,47)(H,52,53)/t25-,26-,27-,31-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033462
((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-3-methyl-2-[(S)...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)C)C(C)C)C(O)=O Show InChI InChI=1S/C37H56N6O10/c1-21(2)18-27(37(52)53)40-34(49)26(20-30(46)47)38-33(48)25(19-29(45)43-16-10-11-17-43)39-35(50)32(23(5)6)42-36(51)31(22(3)4)41-28(44)15-14-24-12-8-7-9-13-24/h7-9,12-13,21-23,25-27,31-32H,10-11,14-20H2,1-6H3,(H,38,48)(H,39,50)(H,40,49)(H,41,44)(H,42,51)(H,46,47)(H,52,53)/t25-,26-,27-,31-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme. |
J Med Chem 39: 4173-80 (1996)
Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50053963
((S)-3-((S)-2-{(S)-2-[3-(1-Ethyl-propyl)-ureido]-3,...)Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C30H54N6O7/c1-10-19(11-2)32-28(43)35-24(30(7,8)9)27(42)34-20(16-22(37)36-14-12-13-15-36)26(41)33-21(17-23(38)39)25(40)31-18(3)29(4,5)6/h18-21,24H,10-17H2,1-9H3,(H,31,40)(H,33,41)(H,34,42)(H,38,39)(H2,32,35,43)/t18-,20+,21+,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme. |
J Med Chem 39: 4173-80 (1996)
Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM601172
(US11634395, Example 200A | US11634395, Example 200...)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)c2c1OCCC2(C)O)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM477358
(6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-5-c...)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)c(n1)C(=O)N1CC2CCC(C1)O2)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033461
((S)-N-((S)-1-Hydroxymethyl-3,3-dimethyl-butyl)-3-(...)Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CO)CC(C)(C)C Show InChI InChI=1S/C38H60N6O9/c1-23(2)32(42-29(46)16-15-25-13-9-8-10-14-25)37(53)43-33(24(3)4)36(52)41-27(19-30(47)44-17-11-12-18-44)35(51)40-28(20-31(48)49)34(50)39-26(22-45)21-38(5,6)7/h8-10,13-14,23-24,26-28,32-33,45H,11-12,15-22H2,1-7H3,(H,39,50)(H,40,51)(H,41,52)(H,42,46)(H,43,53)(H,48,49)/t26-,27-,28-,32-,33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033449
((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[(S)-3,3-dime...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)(C)C)C(C)C)C(O)=O Show InChI InChI=1S/C38H58N6O10/c1-22(2)19-27(37(53)54)41-34(50)26(21-30(47)48)39-33(49)25(20-29(46)44-17-11-12-18-44)40-35(51)31(23(3)4)43-36(52)32(38(5,6)7)42-28(45)16-15-24-13-9-8-10-14-24/h8-10,13-14,22-23,25-27,31-32H,11-12,15-21H2,1-7H3,(H,39,49)(H,40,51)(H,41,50)(H,42,45)(H,43,52)(H,47,48)(H,53,54)/t25-,26-,27-,31-,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM477477
(US10889555, Example 245 | US11634395, Example 245)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ncc(Cl)cc1C(N)=O)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50053987
((S)-N-(2,2-Dimethyl-propyl)-3-((S)-2-{(S)-2-[3-(1-...)Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(C)(C)C)C(C)(C)C Show InChI InChI=1S/C29H52N6O7/c1-9-18(10-2)31-27(42)34-23(29(6,7)8)26(41)33-19(15-21(36)35-13-11-12-14-35)25(40)32-20(16-22(37)38)24(39)30-17-28(3,4)5/h18-20,23H,9-17H2,1-8H3,(H,30,39)(H,32,40)(H,33,41)(H,37,38)(H2,31,34,42)/t19-,20-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme. |
J Med Chem 39: 4173-80 (1996)
Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM477305
(US10889555, Example 39 | US11634395, Example 39)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1cc(C(=O)N(C)C)c(Cl)cc1C(N)=O)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033455
((S)-2-((S)-3-Carboxy-2-{(S)-2-[(S)-2-(2-ethyl-buty...)Show SMILES CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C32H55N5O9/c1-10-19(11-2)25(39)35-23(31(5,6)7)27(41)33-20(17-22(38)37-14-12-13-15-37)26(40)36-24(32(8,9)30(45)46)28(42)34-21(29(43)44)16-18(3)4/h18-21,23-24H,10-17H2,1-9H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)(H,43,44)(H,45,46)/t20-,21-,23+,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM601200
(5-fluoro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl...)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(F)c2c1OCCC2(C)O)c1n[nH]c(=O)o1)c1c(F)ccc(Br)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM477519
(US10889555, Example 287 | US11634395, Example 287)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)cc1C(N)=S)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM477459
(US10889555, Example 230B | US11634395, Example 230...)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(F)c2[C@H](O)CCOc12)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM601197
(N-((1S,2R)-2-(3-bromo-6-fluoro-2-methylphenyl)-1-(...)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)c2c1OCCC2(C)O)c1n[nH]c(=O)o1)c1c(F)ccc(Br)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM477484
(3-chloro-6-(N-((1S,2R)-2-(6-fluoro-2,3-dimethylphe...)Show SMILES CNC(=O)c1nc(ccc1Cl)S(=O)(=O)N[C@@H]([C@H](C)c1c(F)ccc(C)c1C)c1n[nH]c(=O)o1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM477552
(US10889555, Example 329 | US11634395, Example 329)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)c2c1OCCC2(C)N)c1n[nH]c(=O)o1)c1c(F)ccc(Br)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM477520
(US10889555, Example 288 | US11634395, Example 288)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)c2N(C)CCOc12)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM601209
(N-((1S,2R)-2-(3-chloro-6-fluoro-2-methylphenyl)-1-...)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(F)c2c1OCCC2(C)O)c1n[nH]c(=O)o1)c1c(F)ccc(Cl)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM477350
(US10889555, Example 109 | US11634395, Example 109 ...)Show SMILES COC(=O)c1nc(ccc1Cl)S(=O)(=O)N[C@@H]([C@H](C)c1c(F)ccc(C)c1C)c1n[nH]c(=O)o1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM601197
(N-((1S,2R)-2-(3-bromo-6-fluoro-2-methylphenyl)-1-(...)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)c2c1OCCC2(C)O)c1n[nH]c(=O)o1)c1c(F)ccc(Br)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM601195
(5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl...)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)c2c1OCCC2(O)C(F)(F)F)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM477424
(4-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl...)Show SMILES COc1c(ccc(Cl)c1C(C)O)S(=O)(=O)N[C@@H]([C@H](C)c1c(F)ccc(C)c1C)c1n[nH]c(=O)o1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM477415
(5-chloro-2-(N-((1S,2R)-2-(6-fluoro-2,3-dimethylphe...)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1cc(c(Cl)cc1C(N)=O)C(C)(C)O)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM477414
(2-(N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5...)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1cc(ccc1C(N)=O)C(C)(C)O)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM477496
(2-(N-((1S,2R)-2-(3-bromo-6-fluoro-2-methylphenyl)-...)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ncc(Cl)cc1C(N)=O)c1n[nH]c(=O)o1)c1c(F)ccc(Br)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM477355
(5-chloro-N-((1S,2R) 2-(6-fluoro-2,3-dimethylphenyl...)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)c(n1)C(=O)N1CCCC1)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM477354
(5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl...)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)c(n1)C(=O)N1CCOCC1)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM477236
(US10889555, Example 1 | US11634395, Example 1)Show SMILES C[C@@H]([C@H](NS(=O)(=O)c1ccc(Br)cc1C(N)=O)c1n[nH]c(=O)o1)c1c(F)ccc(C)c1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2V128RN |
More data for this
Ligand-Target Pair | |
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