Found 662 hits with Last Name = 'beswick' and Initial = 'p' 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 |
|---|
Alternative oxidase, mitochondrial
(Trypanosoma brucei brucei) | BDBM50459778
(Ascofuranone | US11565996, Compound Ascochlorin)Show SMILES [H][C@]1(CC(=O)C(C)(C)O1)C(\C)=C\CC\C(C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O |r| Show InChI InChI=1S/C23H29ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18,27-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+/t18-/m0/s1 | PDB
UniProtKB/SwissProt
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UniChem
| Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sussex
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei alternative oxidase expressed in Escherichia coli FN102 using ubiquinol-1 as substrate preincubated for 2 mins follo... |
Eur J Med Chem 141: 676-689 (2017)
Article DOI: 10.1016/j.ejmech.2017.09.067
BindingDB Entry DOI: 10.7270/Q2028V6C |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM22541
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19) | KEGG
UniProtKB/TrEMBL
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| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM85023
(GR 168320 | GR-168320)Show InChI InChI=1S/C15H25N5/c16-15(19-13-4-2-1-3-5-13)20-8-6-12(7-9-20)14-10-17-11-18-14/h10-13H,1-9H2,(H2,16,19)(H,17,18) | KEGG
UniProtKB/TrEMBL
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM85023
(GR 168320 | GR-168320)Show InChI InChI=1S/C15H25N5/c16-15(19-13-4-2-1-3-5-13)20-8-6-12(7-9-20)14-10-17-11-18-14/h10-13H,1-9H2,(H2,16,19)(H,17,18) | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM22541
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19) | KEGG
UniProtKB/TrEMBL
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM22530
(N(alpha)-Methylhistamine | N-alpha-methylhistamine...)Show InChI InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9) | KEGG
UniProtKB/TrEMBL
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| Article
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| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM22904
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1 | KEGG
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM22904
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1 | KEGG
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| 1.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM22530
(N(alpha)-Methylhistamine | N-alpha-methylhistamine...)Show InChI InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9) | KEGG
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PubMed
| 1.99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM22914
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20) | KEGG
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| 1.99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607212
(CHEMBL5220448)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1ccc4ccccc4c1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607211
(CHEMBL5218456)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1cccc4ccccc14)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM7966
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) | KEGG
UniProtKB/TrEMBL
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PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607222
(CHEMBL5218740)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1cccc4ccccc14)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@@]1([H])C(=O)N1CC(O)C[C@@]1([H])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM22904
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1 | KEGG
UniProtKB/TrEMBL
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CHEMBL
MCE
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PC sid
UniChem
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| Article
PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM22914
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20) | KEGG
UniProtKB/TrEMBL
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CHEMBL
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Patents
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| Article
PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607215
(CHEMBL5220463)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1ccccn1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM22530
(N(alpha)-Methylhistamine | N-alpha-methylhistamine...)Show InChI InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9) | KEGG
UniProtKB/TrEMBL
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PC sid
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PubMed
| 5.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607219
(CHEMBL5220631)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1ccccn1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@@]1([H])C(=O)N1C[C@H](O)C[C@@]1([H])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607218
(CHEMBL5220922)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1ccccn1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607209
(CHEMBL5219136)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1ccccn1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607221
(CHEMBL5220083)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1ccccn1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM7966
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607204
(CHEMBL5219641)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccn1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM22884
(2-[3-(1H-imidazol-5-yl)propyl]-1-(2-{[(5-methyl-1H...)Show SMILES Cc1nc[nH]c1CSCCN=C(N)NCCCc1cnc[nH]1 |w:10.10| Show InChI InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18) | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607183
(CHEMBL5220023)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607178
(CHEMBL5221012)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1cccc(C)c1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607172
(CHEMBL5220092)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607194
(CHEMBL5219400)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccn1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607174
(CHEMBL5220320)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607179
(CHEMBL5220037)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(C)cc1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM22884
(2-[3-(1H-imidazol-5-yl)propyl]-1-(2-{[(5-methyl-1H...)Show SMILES Cc1nc[nH]c1CSCCN=C(N)NCCCc1cnc[nH]1 |w:10.10| Show InChI InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18) | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607201
(CHEMBL5218904)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccn1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM22904
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1 | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM7966
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607207
(CHEMBL5220458)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccn1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607193
(CHEMBL5220040)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccn1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607171
(CHEMBL5219498)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](C)N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607200
(CHEMBL5220510)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccn1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607190
(CHEMBL5220499)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccn1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607191
(CHEMBL5219259)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccn1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607199
(CHEMBL5218678)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccn1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607184
(CHEMBL5221108)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC2=O)C(=O)N[C@@]([H])([C@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607189
(CHEMBL5220688)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607188
(CHEMBL5219916)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC2=O)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607210
(CHEMBL5219878)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3COC[C@@]3([H])C(=O)N[C@@H](Cc3ccccn3)C(=O)N[C@H](CC(O)=O)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@]([H])(NC2=O)[C@@H](C)CC)C(O)=O)[C@@H](C)O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607185
(CHEMBL5219402)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC2=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607173
(CHEMBL5220400)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](C)C(O)=O)NC(=O)[C@H](C)N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Nectin-4
(Homo sapiens) | BDBM50607195
(CHEMBL5220633)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccn1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00065
BindingDB Entry DOI: 10.7270/Q2TM7G7V |
More data for this
Ligand-Target Pair | |
Hrh3 protein
(RAT) | BDBM22888
(1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea | B...)Show InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14) | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 63.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research & Development Ltd.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 311: 305-10 (1996)
Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD |
More data for this
Ligand-Target Pair | |
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