Found 1385 hits Enz. Inhib. hit(s) with Target = 'HRH2' 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 |
|---|
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM81543
(Alpha-Dimethylhistane-alpha | CAS_195960 | NSC_195...)Show InChI InChI=1S/C7H13N3/c1-6(8-2)3-7-4-9-5-10-7/h4-6,8H,3H2,1-2H3,(H,9,10) | PDB
UniProtKB/SwissProt
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| PC cid
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's Medical Centre
Curated by PDSP Ki Database
| |
Biochem Soc Trans 20: 122-5 (1992)
Article DOI: 10.1042/bst0200122
BindingDB Entry DOI: 10.7270/Q2RX99KH |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM81541
(CAS_195530 | NSC_195530 | S-Beta-Dimethylhistamine...)Show InChI InChI=1S/C7H13N3/c1-5(6(2)8)7-3-9-4-10-7/h3-6H,8H2,1-2H3,(H,9,10) | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's Medical Centre
Curated by PDSP Ki Database
| |
Biochem Soc Trans 20: 122-5 (1992)
Article DOI: 10.1042/bst0200122
BindingDB Entry DOI: 10.7270/Q2RX99KH |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50406642
(CHEMBL72193)Show SMILES Nc1ccc(cc1I)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:33.36| Show InChI InChI=1S/C26H34IN7O2/c27-23-17-21(8-9-24(23)29)25(35)30-11-12-32-26(33-19-28)31-10-5-15-36-22-7-4-6-20(16-22)18-34-13-2-1-3-14-34/h4,6-9,16-17H,1-3,5,10-15,18,29H2,(H,30,35)(H2,31,32,33) | PDB
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| 0.708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of [125I]APT binding to histamine H2 receptor in guinea pig cerebral membranes. |
J Med Chem 35: 2231-8 (1992)
BindingDB Entry DOI: 10.7270/Q23T9JFP |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM81542
(Beta-Methylhistamine | CAS_565544 | NSC_565544)Show InChI InChI=1S/C6H11N3/c1-5(2-7)6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9) | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's Medical Centre
Curated by PDSP Ki Database
| |
Biochem Soc Trans 20: 122-5 (1992)
Article DOI: 10.1042/bst0200122
BindingDB Entry DOI: 10.7270/Q2RX99KH |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | 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 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's Medical Centre
Curated by PDSP Ki Database
| |
Biochem Soc Trans 20: 122-5 (1992)
Article DOI: 10.1042/bst0200122
BindingDB Entry DOI: 10.7270/Q2RX99KH |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50253754
(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...)Show SMILES CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32) | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description
Displacement of [3H]tiotidine from human histamine H2 receptor |
J Med Chem 51: 6034-43 (2008)
Article DOI: 10.1021/jm800510m
BindingDB Entry DOI: 10.7270/Q2BV7GFM |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | CHEMBL5276441
| PDB
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| | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50568741
(CHEMBL4875600)Show SMILES CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccc(F)c1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]UR-DE257 from human histamine H2 receptor expressed in sf9 insect cell membranes co-expressing GSalphaS incubated for 60 mins by ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113190
BindingDB Entry DOI: 10.7270/Q2TF0245 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50406643
(CHEMBL73994)Show SMILES Ic1cccc(c1)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:32.35| Show InChI InChI=1S/C26H33IN6O2/c27-23-9-5-8-22(18-23)25(34)29-12-13-31-26(32-20-28)30-11-6-16-35-24-10-4-7-21(17-24)19-33-14-2-1-3-15-33/h4-5,7-10,17-18H,1-3,6,11-16,19H2,(H,29,34)(H2,30,31,32) | PDB
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of [125I]APT binding to H2 receptors in guinea pig cerebral membranes. |
J Med Chem 35: 2231-8 (1992)
BindingDB Entry DOI: 10.7270/Q23T9JFP |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50601551
(CHEMBL5207281)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1 | PDB
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| 3 | 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.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50404821
(CHEMBL306465)Show InChI InChI=1S/C17H25N5O2S/c18-16-17(21-25(23)20-16)19-8-5-11-24-15-7-4-6-14(12-15)13-22-9-2-1-3-10-22/h4,6-7,12H,1-3,5,8-11,13H2,(H2,18,20)(H,19,21) | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Histamine H2 receptor by measuring its ability to block the histamine-stimulated adenylate cyclase of guinea pig hippocampal h... |
J Med Chem 25: 207-10 (1982)
BindingDB Entry DOI: 10.7270/Q2HH6M8R |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50315205
((R)-2-(6-fluoro-3-(1-(3-methoxypyrazin-2-yl)ethyl)...)Show SMILES COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc12 |r,c:11| Show InChI InChI=1S/C20H24FN3O/c1-13(19-20(25-4)23-9-8-22-19)18-14(7-10-24(2)3)11-15-12-16(21)5-6-17(15)18/h5-6,8-9,12-13H,7,10-11H2,1-4H3/t13-/m1/s1 | PDB
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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of H2 receptor |
Bioorg Med Chem Lett 20: 5874-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.117
BindingDB Entry DOI: 10.7270/Q26W9BDC |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50568740
(CHEMBL4860528) | PDB
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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]UR-DE257 from human histamine H2 receptor expressed in sf9 insect cell membranes co-expressing GSalphaS incubated for 60 mins by ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113190
BindingDB Entry DOI: 10.7270/Q2TF0245 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50601590
(CHEMBL5173079)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCCCCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1 | PDB
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| 4.80 | 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.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50601567
(CHEMBL5206565)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1 | PDB
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| 5 | 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.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50601556
(CHEMBL5200771)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1 | PDB
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| 5.10 | 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.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50229612
(CHEMBL304608)Show SMILES Ic1cccc(c1)C(=O)NCC\N=C(\NCCCCOc1cccc(CN2CCCCC2)c1)NC#N Show InChI InChI=1S/C27H35IN6O2/c28-24-10-7-9-23(19-24)26(35)30-13-14-32-27(33-21-29)31-12-2-5-17-36-25-11-6-8-22(18-25)20-34-15-3-1-4-16-34/h6-11,18-19H,1-5,12-17,20H2,(H,30,35)(H2,31,32,33) | PDB
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| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of [125I]APT binding to H2 receptors in guinea pig cerebral membranes. |
J Med Chem 35: 2231-8 (1992)
BindingDB Entry DOI: 10.7270/Q23T9JFP |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50601589
(CHEMBL5176229)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1 | PDB
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| 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.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50229613
(ICI-125211 | Tiotidine)Show SMILES [#6]\[#7]=[#6](\[#7]-[#6]-[#6]-[#16]-[#6]-c1csc(\[#7]=[#6](/[#7])-[#7])n1)-[#7]C#N Show InChI InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18) | PDB
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| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of [125I]APT binding to H2 receptors in guinea pig cerebral membranes. |
J Med Chem 35: 2231-8 (1992)
BindingDB Entry DOI: 10.7270/Q23T9JFP |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50445613
(Asenapine maleate | CHEBI:71246 | ORG-5222 | Saphr...)Show SMILES CN1C[C@@H]2[C@@H](C1)c1cc(Cl)ccc1Oc1ccccc21 |r| Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1 | PDB
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| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 576-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50445613
(Asenapine maleate | CHEBI:71246 | ORG-5222 | Saphr...)Show SMILES CN1C[C@@H]2[C@@H](C1)c1cc(Cl)ccc1Oc1ccccc21 |r| Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1 | PDB
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| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri
Curated by ChEMBL
| Assay Description
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 576-9 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50601572
(CHEMBL5208722)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@@H](NC(=O)\N=C(/N)NCCCc1c[nH]cn1)c1ccccc1 |r| | PDB
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| 6.20 | 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.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50404823
(CHEMBL63299)Show SMILES CN(C)Cc1ccc(CSCCNC2=NS(=O)(=O)NC2=N)o1 |t:13| Show InChI InChI=1S/C12H19N5O3S2/c1-17(2)7-9-3-4-10(20-9)8-21-6-5-14-12-11(13)15-22(18,19)16-12/h3-4H,5-8H2,1-2H3,(H2,13,15)(H,14,16) | PDB
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Histamine H2 receptor by measuring its ability to block the histamine-stimulated adenylate cyclase of guinea pig hippocampal h... |
J Med Chem 25: 207-10 (1982)
BindingDB Entry DOI: 10.7270/Q2HH6M8R |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50404822
(CHEMBL8982)Show InChI InChI=1S/C12H19N5O2S2/c1-17(2)7-9-3-4-10(19-9)8-20-6-5-14-12-11(13)15-21(18)16-12/h3-4H,5-8H2,1-2H3,(H2,13,15)(H,14,16) | PDB
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of Histamine H2 receptor by measuring its ability to block the histamine-stimulated adenylate cyclase of guinea pig hippocampal h... |
J Med Chem 25: 207-10 (1982)
BindingDB Entry DOI: 10.7270/Q2HH6M8R |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50601577
(CHEMBL5180504)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1nnc(N)s1)Cc1ccc(C)cc1 | PDB
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| Article
PubMed
| 6.5 | 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.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50601576
(CHEMBL5184911)Show SMILES Cl.Cl.CC(NC(=O)\N=C(/N)NCCCc1nnc(N)s1)c1cccc(F)c1 | PDB
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| 8.10 | 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.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM86740
(UR-AK24 | UR-AK57)Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |w:8.8| Show InChI InChI=1S/C17H29N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h11-14H,2-10H2,1H3,(H,19,21)(H3,18,20,22,23) | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 317: 1262-8 (2006)
Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50406645
(AMINOPOTENTIDINE)Show SMILES Nc1ccc(cc1)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:32.35| Show InChI InChI=1S/C26H35N7O2/c27-20-32-26(31-14-13-29-25(34)22-8-10-23(28)11-9-22)30-12-5-17-35-24-7-4-6-21(18-24)19-33-15-2-1-3-16-33/h4,6-11,18H,1-3,5,12-17,19,28H2,(H,29,34)(H2,30,31,32) | PDB
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| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
muscarinic acetylcholine receptor M3-antagonistic activity on the isolated guinea pig ileum determined by Schild plot. |
J Med Chem 35: 2231-8 (1992)
BindingDB Entry DOI: 10.7270/Q23T9JFP |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50568759
(CHEMBL4865965) | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]UR-DE257 from human histamine H2 receptor expressed in sf9 insect cell membranes co-expressing GSalphaS incubated for 60 mins by ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113190
BindingDB Entry DOI: 10.7270/Q2TF0245 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM22891
(3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-y...)Show SMILES [#7]\[#6](-[#7])=[#7]\c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](-[#7])=[#7]S([#7])(=O)=O)cs1 |w:13.13| Show InChI InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Pharmaceutical Research Laboratories
Curated by PDSP Ki Database
| |
Nature 304: 65-7 (1983)
Article DOI: 10.1038/304065a0
BindingDB Entry DOI: 10.7270/Q2930RN2 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50406644
(CHEMBL307952)Show SMILES Ic1cc(ccc1N=[N+]=[N-])C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:35.38| Show InChI InChI=1S/C26H32IN9O2/c27-23-17-21(8-9-24(23)34-35-29)25(37)30-11-12-32-26(33-19-28)31-10-5-15-38-22-7-4-6-20(16-22)18-36-13-2-1-3-14-36/h4,6-9,16-17H,1-3,5,10-15,18H2,(H,30,37)(H2,31,32,33) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of [125I]APT binding to histamine H2 receptor in guinea pig cerebral membranes. |
J Med Chem 35: 2231-8 (1992)
BindingDB Entry DOI: 10.7270/Q23T9JFP |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM86740
(UR-AK24 | UR-AK57)Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |w:8.8| Show InChI InChI=1S/C17H29N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h11-14H,2-10H2,1H3,(H,19,21)(H3,18,20,22,23) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 317: 1262-8 (2006)
Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50543277
(CHEMBL4642548)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O Show InChI InChI=1S/C25H38N4O3/c26-12-4-1-2-5-13-27-22-23(25(31)24(22)30)28-14-9-17-32-21-11-8-10-20(18-21)19-29-15-6-3-7-16-29/h8,10-11,18,27-28H,1-7,9,12-17,19,26H2 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-DE257 from Gsalphas-coupled human H2R expressed in baculovirus infected Sf9 cells incubated for 60 mins by scintillation count... |
ACS Med Chem Lett 11: 1521-1528 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00033
BindingDB Entry DOI: 10.7270/Q2W380WD |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50601573
(CHEMBL5208845)Show SMILES Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1nnc(N)s1)c1ccccc1 |r| | PDB
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| 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.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50543278
(CHEMBL4644794)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O Show InChI InChI=1S/C26H40N4O3/c27-13-5-2-1-3-6-14-28-23-24(26(32)25(23)31)29-15-10-18-33-22-12-9-11-21(19-22)20-30-16-7-4-8-17-30/h9,11-12,19,28-29H,1-8,10,13-18,20,27H2 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-DE257 from Gsalphas-coupled human H2R expressed in baculovirus infected Sf9 cells incubated for 60 mins by scintillation count... |
ACS Med Chem Lett 11: 1521-1528 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00033
BindingDB Entry DOI: 10.7270/Q2W380WD |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50601583
(CHEMBL5198795)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CCCc1ccccc1)CNC(=O)\N=C(/N)NCCCc1nnc(N)s1 | PDB
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| 15 | 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.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM86742
(UR-AK64)Show SMILES NC(NC(=O)CCCC1CCCCC1)=NCCCc1cnc[nH]1 |w:14.15| Show InChI InChI=1S/C17H29N5O/c18-17(20-11-5-9-15-12-19-13-21-15)22-16(23)10-4-8-14-6-2-1-3-7-14/h12-14H,1-11H2,(H,19,21)(H3,18,20,22,23) | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 317: 1262-8 (2006)
Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50543289
(CHEMBL4643501)Show InChI InChI=1S/C19H25N3O3/c20-16-17(19(24)18(16)23)21-8-5-11-25-15-7-4-6-14(12-15)13-22-9-2-1-3-10-22/h4,6-7,12,21H,1-3,5,8-11,13,20H2 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Binding affinity to human H2R expressing Sf9 cells incubated for 60 mins by microbeta scintillation counter method |
ACS Med Chem Lett 11: 1521-1528 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00033
BindingDB Entry DOI: 10.7270/Q2W380WD |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50543281
(CHEMBL4644467)Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c(C)c2)cc1 Show InChI InChI=1S/C45H59N5O3/c1-35-31-38(18-10-9-17-37-21-23-40(24-22-37)48(3)4)32-36(2)50(35)29-14-7-5-6-11-25-46-42-43(45(52)44(42)51)47-26-16-30-53-41-20-15-19-39(33-41)34-49-27-12-8-13-28-49/h9-10,15,17-24,31-33H,5-8,11-14,16,25-30,34H2,1-4H3,(H-,46,47,51,52)/p+1 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-DE257 from Gsalphas-coupled human H2R expressed in baculovirus infected Sf9 cells incubated for 60 mins by scintillation count... |
ACS Med Chem Lett 11: 1521-1528 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00033
BindingDB Entry DOI: 10.7270/Q2W380WD |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(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) | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50568739
(CHEMBL4856059)Show SMILES C[C@@H](NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r| | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]UR-DE257 from human histamine H2 receptor expressed in sf9 insect cell membranes co-expressing GSalphaS incubated for 60 mins by ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113190
BindingDB Entry DOI: 10.7270/Q2TF0245 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50543279
(CHEMBL4641916)Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c(C)c2)cc1 Show InChI InChI=1S/C42H53N5O3/c1-32-28-35(15-7-6-14-34-18-20-37(21-19-34)45(3)4)29-33(2)47(32)26-11-8-22-43-39-40(42(49)41(39)48)44-23-13-27-50-38-17-12-16-36(30-38)31-46-24-9-5-10-25-46/h6-7,12,14-21,28-30H,5,8-11,13,22-27,31H2,1-4H3,(H-,43,44,48,49)/p+1 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-DE257 from Gsalphas-coupled human H2R expressed in baculovirus infected Sf9 cells incubated for 60 mins by scintillation count... |
ACS Med Chem Lett 11: 1521-1528 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00033
BindingDB Entry DOI: 10.7270/Q2W380WD |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM22568
(1-cyano-3-{2-[({2-[(diaminomethylidene)amino]-1,3-...)Show SMILES [#6]-[#7]-[#6](-[#7]C#N)=[#7]-[#6]-[#6]-[#16]-[#6]-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |w:6.6| Show InChI InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18) | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard
Curated by ChEMBL
| Assay Description
Displacement of [125I]Aminopotentidine from human recombinant histamine H2 receptor expressed in CHOK1 cells after 2 hrs |
Bioorg Med Chem Lett 23: 1834-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.025
BindingDB Entry DOI: 10.7270/Q2P55PWC |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50543280
(CHEMBL4637893)Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c(C)c2)cc1 Show InChI InChI=1S/C44H57N5O3/c1-34-30-37(17-9-8-16-36-20-22-39(23-21-36)47(3)4)31-35(2)49(34)28-13-6-5-10-24-45-41-42(44(51)43(41)50)46-25-15-29-52-40-19-14-18-38(32-40)33-48-26-11-7-12-27-48/h8-9,14,16-23,30-32H,5-7,10-13,15,24-29,33H2,1-4H3,(H-,45,46,50,51)/p+1 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-DE257 from Gsalphas-coupled human H2R expressed in baculovirus infected Sf9 cells incubated for 60 mins by scintillation count... |
ACS Med Chem Lett 11: 1521-1528 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00033
BindingDB Entry DOI: 10.7270/Q2W380WD |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50601563
(CHEMBL5204599)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1nnc(N)s1)C1CCCCC1 | PDB
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| 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.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50543283
(CHEMBL4647775)Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C[N+]1=C(\C=C\C=C\C=C2/N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:13| Show InChI InChI=1S/C57H74N6O4/c1-56(2)45-27-14-16-29-47(45)61(5)49(56)31-11-8-12-32-50-57(3,4)46-28-15-17-30-48(46)63(50)39-22-9-13-33-51(64)58-34-18-6-7-19-35-59-52-53(55(66)54(52)65)60-36-24-40-67-44-26-23-25-43(41-44)42-62-37-20-10-21-38-62/h8,11-12,14-17,23,25-32,41H,6-7,9-10,13,18-22,24,33-40,42H2,1-5H3,(H2-,58,59,60,64,65,66)/p+1 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-DE257 from Gsalphas-coupled human H2R expressed in baculovirus infected Sf9 cells incubated for 60 mins by scintillation count... |
ACS Med Chem Lett 11: 1521-1528 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00033
BindingDB Entry DOI: 10.7270/Q2W380WD |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM86738
(UR-AK46)Show SMILES NC(NC(=O)C1CCCCC1)=NCCCc1cnc[nH]1 |w:11.12| Show InChI InChI=1S/C14H23N5O/c15-14(17-8-4-7-12-9-16-10-18-12)19-13(20)11-5-2-1-3-6-11/h9-11H,1-8H2,(H,16,18)(H3,15,17,19,20) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 317: 1262-8 (2006)
Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM86747
(UR-AK67)Show SMILES NC(NC(=O)CCCc1ccccc1)=NCCCc1cnc[nH]1 |w:14.15| Show InChI InChI=1S/C17H23N5O/c18-17(20-11-5-9-15-12-19-13-21-15)22-16(23)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,21)(H3,18,20,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 317: 1262-8 (2006)
Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50586669
(CHEMBL5094663)Show SMILES Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCCCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C |c:39| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]UR-DE257 from Gsalphas-coupled human H2R expressed in Sf9 cell membranes by competitive binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128388
BindingDB Entry DOI: 10.7270/Q2W38179 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM86743
(UR-AK49)Show SMILES NC(NC(=O)CCC1CCCCC1)=NCCCc1cnc[nH]1 |w:13.14| Show InChI InChI=1S/C16H27N5O/c17-16(19-10-4-7-14-11-18-12-20-14)21-15(22)9-8-13-5-2-1-3-6-13/h11-13H,1-10H2,(H,18,20)(H3,17,19,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 317: 1262-8 (2006)
Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ |
More data for this
Ligand-Target Pair | |
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