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67 similar compounds to monomer 1

Wt: 877.0
BDBM50001608
Purchase
Wt: 226.2
BDBM50018445
Purchase
Wt: 283.2
BDBM50021570
Wt: 332.3
BDBM50028586
Wt: 256.2
BDBM50028588
Purchase
Wt: 332.2
BDBM50028378
Wt: 312.3
BDBM50028571
Wt: 270.2
BDBM50028574
Wt: 269.2
BDBM50028576
Wt: 325.4
BDBM50028581
Wt: 302.3
BDBM50028580
Wt: 268.2
BDBM50028584
Wt: 266.2
BDBM50094281
Wt: 338.2
BDBM50094621
Wt: 336.1
BDBM50132286
Displayed 1 to 15 (of 67 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50001608,50018445,50021570,50028586,50028588,50028378,50028571,50028574,50028576,50028581,50028580,50028584,50094281,50094621,50132286   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001608
PNG
(CHEMBL3237723)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O
Show InChI InChI=1S/C40H56N6O12S2/c1-19-11-23(48)12-20(2)24(19)13-25(41)34(53)44-27-18-59-9-10-60-39(3,4)32(45-38(56)40(46-35(27)54)14-21-7-5-6-8-22(21)15-40)36(55)43-26(33(42)52)17-57-37-31(51)30(50)29(49)28(16-47)58-37/h5-8,11-12,25-32,37,47-51H,9-10,13-18,41H2,1-4H3,(H2,42,52)(H,43,55)(H,44,53)(H,45,56)(H,46,54)/t25-,26-,27+,28+,29+,30-,31+,32-,37+/m0/s1
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Article
PubMed
1.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 3148-53 (2014)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001608
PNG
(CHEMBL3237723)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O
Show InChI InChI=1S/C40H56N6O12S2/c1-19-11-23(48)12-20(2)24(19)13-25(41)34(53)44-27-18-59-9-10-60-39(3,4)32(45-38(56)40(46-35(27)54)14-21-7-5-6-8-22(21)15-40)36(55)43-26(33(42)52)17-57-37-31(51)30(50)29(49)28(16-47)58-37/h5-8,11-12,25-32,37,47-51H,9-10,13-18,41H2,1-4H3,(H2,42,52)(H,43,55)(H,44,53)(H,45,56)(H,46,54)/t25-,26-,27+,28+,29+,30-,31+,32-,37+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analy...


J Med Chem 57: 3148-53 (2014)

More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50028378
PNG
(CHEMBL28799 | Phosphoric acid mono-[5-(5-ethynyl-2...)
Show SMILES OC1CC(OC1COP(O)(O)=O)n1cc(C#C)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H13N2O8P/c1-2-6-4-13(11(16)12-10(6)15)9-3-7(14)8(21-9)5-20-22(17,18)19/h1,4,7-9,14H,3,5H2,(H,12,15,16)(H2,17,18,19)
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of dTMP synthetase from Lactobacillus casei


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50001608
PNG
(CHEMBL3237723)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O
Show InChI InChI=1S/C40H56N6O12S2/c1-19-11-23(48)12-20(2)24(19)13-25(41)34(53)44-27-18-59-9-10-60-39(3,4)32(45-38(56)40(46-35(27)54)14-21-7-5-6-8-22(21)15-40)36(55)43-26(33(42)52)17-57-37-31(51)30(50)29(49)28(16-47)58-37/h5-8,11-12,25-32,37,47-51H,9-10,13-18,41H2,1-4H3,(H2,42,52)(H,43,55)(H,44,53)(H,45,56)(H,46,54)/t25-,26-,27+,28+,29+,30-,31+,32-,37+/m0/s1
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420n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 1 hr by liquid scintillation counting analys...


J Med Chem 57: 3148-53 (2014)

More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50094621
PNG
(CHEMBL143398 | Phosphoric acid mono-[3-hydroxy-5-(...)
Show SMILES OCc1cn(C2CC(O)C(COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,11,15,16)(H2,17,18,19)
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900n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Time-independent inhibition of thymidylate synthase from FdUrd-resistant L1210 cells


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50028378
PNG
(CHEMBL28799 | Phosphoric acid mono-[5-(5-ethynyl-2...)
Show SMILES OC1CC(OC1COP(O)(O)=O)n1cc(C#C)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H13N2O8P/c1-2-6-4-13(11(16)12-10(6)15)9-3-7(14)8(21-9)5-20-22(17,18)19/h1,4,7-9,14H,3,5H2,(H,12,15,16)(H2,17,18,19)
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2.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of dTMP synthetase from L. casei


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50094621
PNG
(CHEMBL143398 | Phosphoric acid mono-[3-hydroxy-5-(...)
Show SMILES OCc1cn(C2CC(O)C(COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,11,15,16)(H2,17,18,19)
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3.70E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Time-independent inhibition of thymidylate synthase from parenteral L1210 cells


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50021570
PNG
(5-(3-Amino-propenyl)-1-(4-hydroxy-5-hydroxymethyl-...)
Show SMILES NCC=Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H17N3O5/c13-3-1-2-7-5-15(12(19)14-11(7)18)10-4-8(17)9(6-16)20-10/h1-2,5,8-10,16-17H,3-4,6,13H2,(H,14,18,19)
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7.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Thymidylate synthetase was evaluated


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase 2


(Rattus norvegicus)
BDBM50028586
PNG
(1-(4-Benzyloxy-5-hydroxymethyl-tetrahydro-furan-2-...)
Show SMILES Cc1cn(C2CC(OCc3ccccc3)C(CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H20N2O5/c1-11-8-19(17(22)18-16(11)21)15-7-13(14(9-20)24-15)23-10-12-5-3-2-4-6-12/h2-6,8,13-15,20H,7,9-10H2,1H3,(H,18,21,22)
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8.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat mitochondrial thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase


(Rattus norvegicus)
BDBM50028586
PNG
(1-(4-Benzyloxy-5-hydroxymethyl-tetrahydro-furan-2-...)
Show SMILES Cc1cn(C2CC(OCc3ccccc3)C(CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H20N2O5/c1-11-8-19(17(22)18-16(11)21)15-7-13(14(9-20)24-15)23-10-12-5-3-2-4-6-12/h2-6,8,13-15,20H,7,9-10H2,1H3,(H,18,21,22)
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1.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase


(Rattus norvegicus)
BDBM50028581
PNG
(1-(5-Hexylaminomethyl-4-hydroxy-tetrahydro-furan-2...)
Show SMILES CCCCCCNCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H27N3O4/c1-3-4-5-6-7-17-9-13-12(20)8-14(23-13)19-10-11(2)15(21)18-16(19)22/h10,12-14,17,20H,3-9H2,1-2H3,(H,18,21,22)
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3.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase


(Rattus norvegicus)
BDBM50028574
PNG
(1-(4-Ethoxy-5-hydroxymethyl-tetrahydro-furan-2-yl)...)
Show SMILES CCOC1CC(OC1CO)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H18N2O5/c1-3-18-8-4-10(19-9(8)6-15)14-5-7(2)11(16)13-12(14)17/h5,8-10,15H,3-4,6H2,1-2H3,(H,13,16,17)
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3.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase


(Rattus norvegicus)
BDBM50028571
PNG
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)
Show SMILES CCCCCn1c(=O)c(C)cn(C2CC(O)C(CO)O2)c1=O
Show InChI InChI=1S/C15H24N2O5/c1-3-4-5-6-16-14(20)10(2)8-17(15(16)21)13-7-11(19)12(9-18)22-13/h8,11-13,18-19H,3-7,9H2,1-2H3
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3.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase


(Rattus norvegicus)
BDBM50028576
PNG
(1-(5-Ethylaminomethyl-4-hydroxy-tetrahydro-furan-2...)
Show SMILES CCNCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O4/c1-3-13-5-9-8(16)4-10(19-9)15-6-7(2)11(17)14-12(15)18/h6,8-10,13,16H,3-5H2,1-2H3,(H,14,17,18)
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4.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase


(Rattus norvegicus)
BDBM50028574
PNG
(1-(4-Ethoxy-5-hydroxymethyl-tetrahydro-furan-2-yl)...)
Show SMILES CCOC1CC(OC1CO)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H18N2O5/c1-3-18-8-4-10(19-9(8)6-15)14-5-7(2)11(16)13-12(14)17/h5,8-10,15H,3-4,6H2,1-2H3,(H,13,16,17)
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5.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat Mitochondrial thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50132286
PNG
((R)-5-Hydroxymethyl-1-((4S,5R)-4-hydroxy-5-methylp...)
Show SMILES OCc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,11,15,16)(H2,17,18,19)/p-2/t6-,7+,8+/m0/s1
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1.10E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50132286
PNG
((R)-5-Hydroxymethyl-1-((4S,5R)-4-hydroxy-5-methylp...)
Show SMILES OCc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,11,15,16)(H2,17,18,19)/p-2/t6-,7+,8+/m0/s1
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1.10E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis thymidine monophosphate kinase by HPLC analysis


Bioorg Med Chem 21: 257-68 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thymidine kinase


(Rattus norvegicus)
BDBM50028588
PNG
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)
Show SMILES Cc1cn(C2CC(O)C(CO)O2)c(=O)n(C)c1=O
Show InChI InChI=1S/C11H16N2O5/c1-6-4-13(11(17)12(2)10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,3,5H2,1-2H3
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2.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase


(Rattus norvegicus)
BDBM50018445
PNG
(1-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)...)
Show SMILES Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
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4.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase


(Rattus norvegicus)
BDBM50028584
PNG
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)
Show SMILES CC=Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H16N2O5/c1-2-3-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)19-10/h2-3,5,8-10,15-16H,4,6H2,1H3,(H,13,17,18)
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5.10E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition against rat mitochondrial thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase


(Rattus norvegicus)
BDBM50028580
PNG
(1-[4-Hydroxy-5-(2-hydroxy-ethylsulfanylmethyl)-tet...)
Show SMILES Cc1cn(C2CC(O)C(CSCCO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H18N2O5S/c1-7-5-14(12(18)13-11(7)17)10-4-8(16)9(19-10)6-20-3-2-15/h5,8-10,15-16H,2-4,6H2,1H3,(H,13,17,18)
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PubMed
8.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase 2


(Rattus norvegicus)
BDBM50018445
PNG
(1-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)...)
Show SMILES Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
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PubMed
8.80E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat mitochondrial thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase 2


(Rattus norvegicus)
BDBM50028581
PNG
(1-(5-Hexylaminomethyl-4-hydroxy-tetrahydro-furan-2...)
Show SMILES CCCCCCNCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H27N3O4/c1-3-4-5-6-7-17-9-13-12(20)8-14(23-13)19-10-11(2)15(21)18-16(19)22/h10,12-14,17,20H,3-9H2,1-2H3,(H,18,21,22)
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PubMed
9.60E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat mitochondrial thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase 2


(Rattus norvegicus)
BDBM50028571
PNG
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)
Show SMILES CCCCCn1c(=O)c(C)cn(C2CC(O)C(CO)O2)c1=O
Show InChI InChI=1S/C15H24N2O5/c1-3-4-5-6-16-14(20)10(2)8-17(15(16)21)13-7-11(19)12(9-18)22-13/h8,11-13,18-19H,3-7,9H2,1-2H3
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PubMed
1.10E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat mitochondrial thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase 2


(Rattus norvegicus)
BDBM50028576
PNG
(1-(5-Ethylaminomethyl-4-hydroxy-tetrahydro-furan-2...)
Show SMILES CCNCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O4/c1-3-13-5-9-8(16)4-10(19-9)15-6-7(2)11(17)14-12(15)18/h6,8-10,13,16H,3-5H2,1-2H3,(H,14,17,18)
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1.44E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat mitochondrial thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase


(Rattus norvegicus)
BDBM50028584
PNG
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)
Show SMILES CC=Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H16N2O5/c1-2-3-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)19-10/h2-3,5,8-10,15-16H,4,6H2,1H3,(H,13,17,18)
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PubMed
1.55E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine kinase


(Rattus norvegicus)
BDBM50028588
PNG
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)
Show SMILES Cc1cn(C2CC(O)C(CO)O2)c(=O)n(C)c1=O
Show InChI InChI=1S/C11H16N2O5/c1-6-4-13(11(17)12(2)10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,3,5H2,1-2H3
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2.80E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition against rat mitochondrial thymidine kinase


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50094281
PNG
(1-(5-Ethynyl-4-hydroxy-5-hydroxymethyl-tetrahydro-...)
Show SMILES Cc1cn([C@H]2C[C@@H](O)[C@@](CO)(O2)C#C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H14N2O5/c1-3-12(6-15)8(16)4-9(19-12)14-5-7(2)10(17)13-11(14)18/h1,5,8-9,15-16H,4,6H2,2H3,(H,13,17,18)/t8-,9-,12-/m1/s1
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n/an/an/an/a 610n/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Tested in vitro against HIV-1 LAI from MT-4 cells using MTT assay


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50094281
PNG
(1-(5-Ethynyl-4-hydroxy-5-hydroxymethyl-tetrahydro-...)
Show SMILES Cc1cn([C@H]2C[C@@H](O)[C@@](CO)(O2)C#C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H14N2O5/c1-3-12(6-15)8(16)4-9(19-12)14-5-7(2)10(17)13-11(14)18/h1,5,8-9,15-16H,4,6H2,2H3,(H,13,17,18)/t8-,9-,12-/m1/s1
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n/an/an/an/a 240n/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Tested in vitro against HIV-1 MDR using MAGI assay


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001608
PNG
(CHEMBL3237723)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O
Show InChI InChI=1S/C40H56N6O12S2/c1-19-11-23(48)12-20(2)24(19)13-25(41)34(53)44-27-18-59-9-10-60-39(3,4)32(45-38(56)40(46-35(27)54)14-21-7-5-6-8-22(21)15-40)36(55)43-26(33(42)52)17-57-37-31(51)30(50)29(49)28(16-47)58-37/h5-8,11-12,25-32,37,47-51H,9-10,13-18,41H2,1-4H3,(H2,42,52)(H,43,55)(H,44,53)(H,45,56)(H,46,54)/t25-,26-,27+,28+,29+,30-,31+,32-,37+/m0/s1
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Article
PubMed
n/an/an/an/a 37n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cells assessed as stimulation of [35S]-GTPgammaS binding after 1 hr by GF/C filters


J Med Chem 57: 3148-53 (2014)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50018445
PNG
(1-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)...)
Show SMILES Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
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PCBioAssay
n/an/a 6.05E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




Citation and Details
More data for this
Ligand-Target Pair