Found 2745 hits with Last Name = 'glen' and Initial = 'rc' 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 |
|---|
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50472300
(CHEMBL84165)Show SMILES CN(C)CCc1c([nH]c2ccc(CCN3C(=O)CNC3=O)cc12)C(=O)NCc1ccccc1 Show InChI InChI=1S/C25H29N5O3/c1-29(2)12-11-19-20-14-17(10-13-30-22(31)16-27-25(30)33)8-9-21(20)28-23(19)24(32)26-15-18-6-4-3-5-7-18/h3-9,14,28H,10-13,15-16H2,1-2H3,(H,26,32)(H,27,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Binding affinity against 5-hydroxytryptamine 1D receptor in calf caudate homogenates. |
J Med Chem 42: 2504-26 (1999)
Article DOI: 10.1021/jm9706325
BindingDB Entry DOI: 10.7270/Q2VD7257 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50472300
(CHEMBL84165)Show SMILES CN(C)CCc1c([nH]c2ccc(CCN3C(=O)CNC3=O)cc12)C(=O)NCc1ccccc1 Show InChI InChI=1S/C25H29N5O3/c1-29(2)12-11-19-20-14-17(10-13-30-22(31)16-27-25(30)33)8-9-21(20)28-23(19)24(32)26-15-18-6-4-3-5-7-18/h3-9,14,28H,10-13,15-16H2,1-2H3,(H,26,32)(H,27,33) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor in rat cortex homogenates. |
J Med Chem 42: 2504-26 (1999)
Article DOI: 10.1021/jm9706325
BindingDB Entry DOI: 10.7270/Q2VD7257 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50472301
(CHEMBL86223)Show SMILES CN(C)CCc1c([nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12)C(=O)NCc1ccccc1 Show InChI InChI=1S/C27H33N5O3/c1-27(2)25(34)32(26(35)30-27)15-12-18-10-11-22-21(16-18)20(13-14-31(3)4)23(29-22)24(33)28-17-19-8-6-5-7-9-19/h5-11,16,29H,12-15,17H2,1-4H3,(H,28,33)(H,30,35) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor in rat cortex homogenates. |
J Med Chem 42: 2504-26 (1999)
Article DOI: 10.1021/jm9706325
BindingDB Entry DOI: 10.7270/Q2VD7257 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50472301
(CHEMBL86223)Show SMILES CN(C)CCc1c([nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12)C(=O)NCc1ccccc1 Show InChI InChI=1S/C27H33N5O3/c1-27(2)25(34)32(26(35)30-27)15-12-18-10-11-22-21(16-18)20(13-14-31(3)4)23(29-22)24(33)28-17-19-8-6-5-7-9-19/h5-11,16,29H,12-15,17H2,1-4H3,(H,28,33)(H,30,35) | PDB
Reactome pathway
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Binding affinity against 5-hydroxytryptamine 1D receptor in calf caudate homogenates. |
J Med Chem 42: 2504-26 (1999)
Article DOI: 10.1021/jm9706325
BindingDB Entry DOI: 10.7270/Q2VD7257 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50472301
(CHEMBL86223)Show SMILES CN(C)CCc1c([nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12)C(=O)NCc1ccccc1 Show InChI InChI=1S/C27H33N5O3/c1-27(2)25(34)32(26(35)30-27)15-12-18-10-11-22-21(16-18)20(13-14-31(3)4)23(29-22)24(33)28-17-19-8-6-5-7-9-19/h5-11,16,29H,12-15,17H2,1-4H3,(H,28,33)(H,30,35) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in rat cortex homogenates. |
J Med Chem 42: 2504-26 (1999)
Article DOI: 10.1021/jm9706325
BindingDB Entry DOI: 10.7270/Q2VD7257 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50472300
(CHEMBL84165)Show SMILES CN(C)CCc1c([nH]c2ccc(CCN3C(=O)CNC3=O)cc12)C(=O)NCc1ccccc1 Show InChI InChI=1S/C25H29N5O3/c1-29(2)12-11-19-20-14-17(10-13-30-22(31)16-27-25(30)33)8-9-21(20)28-23(19)24(32)26-15-18-6-4-3-5-7-18/h3-9,14,28H,10-13,15-16H2,1-2H3,(H,26,32)(H,27,33) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in rat cortex homogenates. |
J Med Chem 42: 2504-26 (1999)
Article DOI: 10.1021/jm9706325
BindingDB Entry DOI: 10.7270/Q2VD7257 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50005835
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3 | PDB
Reactome pathway
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| Purchase
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KEGG
PC cid
PC sid
UniChem
Patents
| DrugBank
Article
PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome
Curated by ChEMBL
| Assay Description
Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytryptamine 1B receptor |
J Med Chem 44: 681-93 (2001)
Article DOI: 10.1021/jm000956k
BindingDB Entry DOI: 10.7270/Q2PC354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM420298
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
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| Purchase
MCE
PDB
UniChem
| | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50097721
(CHEMBL1879790 | EN300-11843)Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-33(3)26(36)20-35-19-24(16-23-17-31-28(38)34(5-2)18-23)27(37)32-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50033383
((S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)m...)Show InChI InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1 | PDB
Reactome pathway
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| Purchase
CHEMBL
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PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome
Curated by ChEMBL
| Assay Description
Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor |
J Med Chem 44: 681-93 (2001)
Article DOI: 10.1021/jm000956k
BindingDB Entry DOI: 10.7270/Q2PC354M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50005835
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| Purchase
CHEMBL
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KEGG
PC cid
PC sid
UniChem
Patents
| DrugBank
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome
Curated by ChEMBL
| Assay Description
Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor |
J Med Chem 44: 681-93 (2001)
Article DOI: 10.1021/jm000956k
BindingDB Entry DOI: 10.7270/Q2PC354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496902
(CVD-0018409 | PF-07321332 | US11351149, Example 13...)Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50473516
(CHEMBL2110299)Show SMILES N[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12 |wU:1.0,wD:3.5,(17.46,-8.49,;16.99,-7.03,;15.61,-6.33,;16.29,-4.97,;17.67,-5.65,;15.82,-3.51,;16.71,-2.25,;15.8,-1.01,;14.33,-1.5,;13,-.73,;11.67,-1.5,;11.67,-3.04,;10.34,-3.81,;10.34,-5.35,;9.1,-6.26,;9.57,-7.71,;11.11,-7.73,;12.2,-8.82,;11.58,-6.26,;13,-3.81,;14.35,-3.04,)| Show InChI InChI=1S/C16H19N3O2/c17-11-5-10(6-11)14-7-18-15-2-1-9(4-13(14)15)3-12-8-21-16(20)19-12/h1-2,4,7,10-12,18H,3,5-6,8,17H2,(H,19,20)/t10-,11-,12? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome
Curated by ChEMBL
| Assay Description
Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor |
J Med Chem 44: 681-93 (2001)
Article DOI: 10.1021/jm000956k
BindingDB Entry DOI: 10.7270/Q2PC354M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50033383
((S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)m...)Show InChI InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1 | PDB
Reactome pathway
KEGG
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| Purchase
CHEMBL
DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome
Curated by ChEMBL
| Assay Description
Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytryptamine 1B receptor |
J Med Chem 44: 681-93 (2001)
Article DOI: 10.1021/jm000956k
BindingDB Entry DOI: 10.7270/Q2PC354M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50473505
(CHEMBL2368256)Show SMILES CN[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12 |wU:2.1,wD:4.6,(17.04,-8.2,;15.54,-7.89,;15.06,-6.42,;13.68,-5.72,;14.37,-4.36,;15.75,-5.05,;13.89,-2.9,;14.79,-1.64,;13.87,-.4,;12.41,-.89,;11.07,-.12,;9.74,-.89,;9.74,-2.43,;8.41,-3.2,;8.41,-4.74,;7.17,-5.65,;7.64,-7.12,;9.18,-7.12,;10.27,-8.21,;9.66,-5.65,;11.07,-3.2,;12.42,-2.43,)| Show InChI InChI=1S/C17H21N3O2/c1-18-12-6-11(7-12)15-8-19-16-3-2-10(5-14(15)16)4-13-9-22-17(21)20-13/h2-3,5,8,11-13,18-19H,4,6-7,9H2,1H3,(H,20,21)/t11-,12-,13? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome
Curated by ChEMBL
| Assay Description
Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor |
J Med Chem 44: 681-93 (2001)
Article DOI: 10.1021/jm000956k
BindingDB Entry DOI: 10.7270/Q2PC354M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50473521
(CHEMBL159332 | CP-122288)Show SMILES [H][C@]1(Cc2c[nH]c3ccc(CS(=O)(=O)NC)cc23)CCCN1C Show InChI InChI=1S/C16H23N3O2S/c1-17-22(20,21)11-12-5-6-16-15(8-12)13(10-18-16)9-14-4-3-7-19(14)2/h5-6,8,10,14,17-18H,3-4,7,9,11H2,1-2H3/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome
Curated by ChEMBL
| Assay Description
Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor |
J Med Chem 44: 681-93 (2001)
Article DOI: 10.1021/jm000956k
BindingDB Entry DOI: 10.7270/Q2PC354M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50473512
(CHEMBL2368254)Show SMILES N[C@H]1C[C@@H](C1)c1c[nH]c2ccc(Oc3ccccc3)cc12 |wU:1.0,wD:3.5,(12.4,-12.84,;11.92,-11.37,;10.55,-10.69,;11.23,-9.32,;12.61,-9.99,;10.76,-7.85,;11.65,-6.6,;10.74,-5.35,;9.27,-5.84,;7.94,-5.07,;6.61,-5.86,;6.61,-7.4,;5.27,-8.17,;5.27,-9.71,;6.6,-10.46,;6.61,-12,;5.27,-12.79,;3.93,-12,;3.94,-10.46,;7.94,-8.17,;9.29,-7.38,)| Show InChI InChI=1S/C18H18N2O/c19-13-8-12(9-13)17-11-20-18-7-6-15(10-16(17)18)21-14-4-2-1-3-5-14/h1-7,10-13,20H,8-9,19H2/t12-,13- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome
Curated by ChEMBL
| Assay Description
Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytryptamine 1B receptor |
J Med Chem 44: 681-93 (2001)
Article DOI: 10.1021/jm000956k
BindingDB Entry DOI: 10.7270/Q2PC354M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50473521
(CHEMBL159332 | CP-122288)Show SMILES [H][C@]1(Cc2c[nH]c3ccc(CS(=O)(=O)NC)cc23)CCCN1C Show InChI InChI=1S/C16H23N3O2S/c1-17-22(20,21)11-12-5-6-16-15(8-12)13(10-18-16)9-14-4-3-7-19(14)2/h5-6,8,10,14,17-18H,3-4,7,9,11H2,1-2H3/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome
Curated by ChEMBL
| Assay Description
Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytryptamine 1B receptor |
J Med Chem 44: 681-93 (2001)
Article DOI: 10.1021/jm000956k
BindingDB Entry DOI: 10.7270/Q2PC354M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50473512
(CHEMBL2368254)Show SMILES N[C@H]1C[C@@H](C1)c1c[nH]c2ccc(Oc3ccccc3)cc12 |wU:1.0,wD:3.5,(12.4,-12.84,;11.92,-11.37,;10.55,-10.69,;11.23,-9.32,;12.61,-9.99,;10.76,-7.85,;11.65,-6.6,;10.74,-5.35,;9.27,-5.84,;7.94,-5.07,;6.61,-5.86,;6.61,-7.4,;5.27,-8.17,;5.27,-9.71,;6.6,-10.46,;6.61,-12,;5.27,-12.79,;3.93,-12,;3.94,-10.46,;7.94,-8.17,;9.29,-7.38,)| Show InChI InChI=1S/C18H18N2O/c19-13-8-12(9-13)17-11-20-18-7-6-15(10-16(17)18)21-14-4-2-1-3-5-14/h1-7,10-13,20H,8-9,19H2/t12-,13- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome
Curated by ChEMBL
| Assay Description
Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor |
J Med Chem 44: 681-93 (2001)
Article DOI: 10.1021/jm000956k
BindingDB Entry DOI: 10.7270/Q2PC354M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50473508
(CHEMBL158638)Show SMILES CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(cc12)C(N)=O |wU:5.7,wD:3.2,(14.61,-11.78,;15.62,-10.62,;17.13,-10.94,;15.14,-9.17,;15.83,-7.79,;14.45,-7.1,;13.77,-8.47,;13.98,-5.65,;14.87,-4.39,;13.96,-3.15,;12.49,-3.64,;11.16,-2.87,;9.83,-3.64,;9.83,-5.18,;11.16,-5.95,;12.51,-5.18,;8.49,-5.95,;8.49,-7.47,;7.16,-5.18,)| Show InChI InChI=1S/C15H19N3O/c1-18(2)11-5-10(6-11)13-8-17-14-4-3-9(15(16)19)7-12(13)14/h3-4,7-8,10-11,17H,5-6H2,1-2H3,(H2,16,19)/t10-,11- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome
Curated by ChEMBL
| Assay Description
Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor |
J Med Chem 44: 681-93 (2001)
Article DOI: 10.1021/jm000956k
BindingDB Entry DOI: 10.7270/Q2PC354M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50473503
(CHEMBL2110300)Show SMILES CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12 |wU:3.2,wD:5.7,(12.22,-9.08,;13.25,-7.93,;14.76,-8.24,;12.76,-6.47,;11.38,-5.77,;12.08,-4.41,;13.46,-5.09,;11.59,-2.95,;12.5,-1.69,;11.59,-.45,;10.13,-.94,;8.79,-.17,;7.46,-.94,;7.46,-2.48,;6.12,-3.25,;6.12,-4.79,;4.88,-5.7,;5.36,-7.16,;6.9,-7.17,;7.98,-8.25,;7.37,-5.7,;8.79,-3.25,;10.13,-2.48,)| Show InChI InChI=1S/C18H23N3O2/c1-21(2)14-7-12(8-14)16-9-19-17-4-3-11(6-15(16)17)5-13-10-23-18(22)20-13/h3-4,6,9,12-14,19H,5,7-8,10H2,1-2H3,(H,20,22)/t12-,13?,14- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome
Curated by ChEMBL
| Assay Description
Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor |
J Med Chem 44: 681-93 (2001)
Article DOI: 10.1021/jm000956k
BindingDB Entry DOI: 10.7270/Q2PC354M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50473516
(CHEMBL2110299)Show SMILES N[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12 |wU:1.0,wD:3.5,(17.46,-8.49,;16.99,-7.03,;15.61,-6.33,;16.29,-4.97,;17.67,-5.65,;15.82,-3.51,;16.71,-2.25,;15.8,-1.01,;14.33,-1.5,;13,-.73,;11.67,-1.5,;11.67,-3.04,;10.34,-3.81,;10.34,-5.35,;9.1,-6.26,;9.57,-7.71,;11.11,-7.73,;12.2,-8.82,;11.58,-6.26,;13,-3.81,;14.35,-3.04,)| Show InChI InChI=1S/C16H19N3O2/c17-11-5-10(6-11)14-7-18-15-2-1-9(4-13(14)15)3-12-8-21-16(20)19-12/h1-2,4,7,10-12,18H,3,5-6,8,17H2,(H,19,20)/t10-,11-,12? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome
Curated by ChEMBL
| Assay Description
Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytryptamine 1B receptor |
J Med Chem 44: 681-93 (2001)
Article DOI: 10.1021/jm000956k
BindingDB Entry DOI: 10.7270/Q2PC354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627791
(CVD-0019230)Show SMILES CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495599
(CVD-0016335 | STE-KUL-d79e3d6a-3)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)CCCC#C)C(C)(C)C)C(=O)NN(CCC(N)=O)C(=O)CCl Show InChI InChI=1S/C23H38ClN5O5/c1-7-8-9-10-18(31)27-20(23(4,5)6)22(34)26-16(13-15(2)3)21(33)28-29(19(32)14-24)12-11-17(25)30/h1,15-16,20H,8-14H2,2-6H3,(H2,25,30)(H,26,34)(H,27,31)(H,28,33)/t16-,20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627915
(CVD-0019273)Show SMILES CC1(CS(=O)(=O)N2C[C@@H](C(=O)Nc3cncc4ccccc34)c3cc(Cl)ccc3C2)CS(=O)(=O)C1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM625991
(EN300-11760) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50473504
(CHEMBL3084967)Show SMILES CN(C)[C@H]1C[C@H](Cc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1 |wU:3.2,wD:5.5,15.14,(19.87,-5.25,;19.38,-3.78,;20.41,-2.63,;17.88,-3.47,;16.6,-4.31,;15.76,-3.03,;14.25,-2.71,;13.76,-1.26,;14.67,-.01,;13.75,1.24,;12.29,.75,;10.96,1.52,;9.63,.74,;9.63,-.8,;8.28,-1.57,;8.28,-3.11,;7.05,-4.01,;7.53,-5.48,;9.07,-5.48,;10.15,-6.56,;9.54,-4.01,;10.96,-1.57,;12.29,-.79,;17.04,-2.18,)| Show InChI InChI=1S/C19H25N3O2/c1-22(2)16-7-13(8-16)5-14-10-20-18-4-3-12(9-17(14)18)6-15-11-24-19(23)21-15/h3-4,9-10,13,15-16,20H,5-8,11H2,1-2H3,(H,21,23)/t13-,15-,16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome
Curated by ChEMBL
| Assay Description
Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor |
J Med Chem 44: 681-93 (2001)
Article DOI: 10.1021/jm000956k
BindingDB Entry DOI: 10.7270/Q2PC354M |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50473505
(CHEMBL2368256)Show SMILES CN[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12 |wU:2.1,wD:4.6,(17.04,-8.2,;15.54,-7.89,;15.06,-6.42,;13.68,-5.72,;14.37,-4.36,;15.75,-5.05,;13.89,-2.9,;14.79,-1.64,;13.87,-.4,;12.41,-.89,;11.07,-.12,;9.74,-.89,;9.74,-2.43,;8.41,-3.2,;8.41,-4.74,;7.17,-5.65,;7.64,-7.12,;9.18,-7.12,;10.27,-8.21,;9.66,-5.65,;11.07,-3.2,;12.42,-2.43,)| Show InChI InChI=1S/C17H21N3O2/c1-18-12-6-11(7-12)15-8-19-16-3-2-10(5-14(15)16)4-13-9-22-17(21)20-13/h2-3,5,8,11-13,18-19H,4,6-7,9H2,1H3,(H,20,21)/t11-,12-,13? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome
Curated by ChEMBL
| Assay Description
Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytryptamine 1B receptor |
J Med Chem 44: 681-93 (2001)
Article DOI: 10.1021/jm000956k
BindingDB Entry DOI: 10.7270/Q2PC354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM626053
(EN300-17406) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495290
(CVD-0018692 | MAT-POS-e194df51-1)Show SMILES Clc1ccc2CN(C[C@@H](C(=O)Nc3cncc4ccccc34)c2c1)S(=O)(=O)CC1(CC1)C#N Show InChI InChI=1S/C24H21ClN4O3S/c25-18-6-5-17-12-29(33(31,32)15-24(14-26)7-8-24)13-21(20(17)9-18)23(30)28-22-11-27-10-16-3-1-2-4-19(16)22/h1-6,9-11,21H,7-8,12-13,15H2,(H,28,30)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM625991
(EN300-11760) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627860
(CVD-0018385 | EDJ-MED-be9e6f63-3)Show SMILES CS(=O)(=O)Nc1ccc2c(NC(=O)C3CN(Cc4ccc(Cl)cc34)S(=O)(=O)CC3(CC3)C#N)cncc2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627860
(CVD-0018385 | EDJ-MED-be9e6f63-3)Show SMILES CS(=O)(=O)Nc1ccc2c(NC(=O)C3CN(Cc4ccc(Cl)cc34)S(=O)(=O)CC3(CC3)C#N)cncc2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495803
(CVD-0015332 | MAT-POS-e69ad64a-2)Show SMILES Clc1ccc2OCC(C(=O)N(C(=O)C=C)c3cncc4ccccc34)c2c1 Show InChI InChI=1S/C21H15ClN2O3/c1-2-20(25)24(18-11-23-10-13-5-3-4-6-15(13)18)21(26)17-12-27-19-8-7-14(22)9-16(17)19/h2-11,17H,1,12H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495598
(CVD-0016334 | STE-KUL-d79e3d6a-2)Show SMILES COC(=O)\C=C\C(=O)N(CCC(N)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCC#C)C(C)(C)C Show InChI InChI=1S/C26H41N5O7/c1-8-9-10-11-20(33)29-23(26(4,5)6)25(37)28-18(16-17(2)3)24(36)30-31(15-14-19(27)32)21(34)12-13-22(35)38-7/h1,12-13,17-18,23H,9-11,14-16H2,2-7H3,(H2,27,32)(H,28,37)(H,29,33)(H,30,36)/b13-12+/t18-,23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627972
(CVD-0019478)Show SMILES CNC(=O)CN1CC(C(=O)Nc2cncc3cc(NS(C)(=O)=O)ccc23)c2cc(Cl)ccc2C1=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50473508
(CHEMBL158638)Show SMILES CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(cc12)C(N)=O |wU:5.7,wD:3.2,(14.61,-11.78,;15.62,-10.62,;17.13,-10.94,;15.14,-9.17,;15.83,-7.79,;14.45,-7.1,;13.77,-8.47,;13.98,-5.65,;14.87,-4.39,;13.96,-3.15,;12.49,-3.64,;11.16,-2.87,;9.83,-3.64,;9.83,-5.18,;11.16,-5.95,;12.51,-5.18,;8.49,-5.95,;8.49,-7.47,;7.16,-5.18,)| Show InChI InChI=1S/C15H19N3O/c1-18(2)11-5-10(6-11)13-8-17-14-4-3-9(15(16)19)7-12(13)14/h3-4,7-8,10-11,17H,5-6H2,1-2H3,(H2,16,19)/t10-,11- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome
Curated by ChEMBL
| Assay Description
Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytryptamine 1B receptor |
J Med Chem 44: 681-93 (2001)
Article DOI: 10.1021/jm000956k
BindingDB Entry DOI: 10.7270/Q2PC354M |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM626189
(EN300-60157) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495783
(MAT-POS-f9802937-8)Show SMILES Clc1cc2NCC[C@@H](C(=O)Nc3cncc4ccccc34)c2cc1Cl Show InChI InChI=1S/C19H15Cl2N3O/c20-15-7-14-13(5-6-23-17(14)8-16(15)21)19(25)24-18-10-22-9-11-3-1-2-4-12(11)18/h1-4,7-10,13,23H,5-6H2,(H,24,25)/t13-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495783
(MAT-POS-f9802937-8)Show SMILES Clc1cc2NCC[C@@H](C(=O)Nc3cncc4ccccc34)c2cc1Cl Show InChI InChI=1S/C19H15Cl2N3O/c20-15-7-14-13(5-6-23-17(14)8-16(15)21)19(25)24-18-10-22-9-11-3-1-2-4-12(11)18/h1-4,7-10,13,23H,5-6H2,(H,24,25)/t13-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM626102
(EN300-213378)Show SMILES NC12CC3CC(C1)CC(O)(C3)C2 |TLB:4:3:11:5.6.7,4:5:11:2.3.10,THB:7:5:2:11.8.10,7:8:2:4.5.6| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM626053
(EN300-17406) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
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
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM429304
(CVD-0006354 | acs.jmedchem.1c00409_ST.426 | indole...)Show InChI InChI=1S/C14H9ClN2O2/c15-9-6-10(8-16-7-9)19-14(18)12-2-1-3-13-11(12)4-5-17-13/h1-8,17H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
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
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628149
(CVD-0020128)Show SMILES CNC(=O)C1(CC1)N1C[C@@]2(CCN(C2=O)c2cncc3ccccc23)c2cc(Cl)ccc2C1=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
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
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More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628210
(ALP-POS-c59291d4-5) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628051
(CVD-0019468)Show SMILES CS(=O)(=O)Nc1ccc2c(NC(=O)[C@@H]3CN(Cc4ccc(Cl)cc34)S(=O)(=O)CC3(CC3)C#N)cncc2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628063
(CVD-0019426)Show SMILES CNC(=O)CN1C(C)C(C(=O)Nc2cncc3cc(ccc23)S(C)(=O)=O)c2cc(Cl)ccc2C1=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628066
(CVD-0019645)Show SMILES Clc1ccc2CN(C[C@]3(CC(=O)N(C3=O)c3cncc4ccccc34)c2c1)S(=O)(=O)CC1(CC1)C#N | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
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
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628069
(CVD-0019750)Show SMILES Clc1ccc2CN(C[C@]3(CCN(C3=O)c3cncc4ccccc34)c2c1)S(=O)(=O)CC1(CC1)C#N | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628026
(CVD-0019470)Show SMILES CCS(=O)(=O)Nc1ccc2c(NC(=O)C3CN(Cc4ccc(Cl)cc34)S(=O)(=O)CC3(CC3)C#N)cncc2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
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
|
More data for this
Ligand-Target Pair | |
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