Found 15 hits of Enzyme Inhibition Constant Data 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 H4 receptor
(Homo sapiens (Human)) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | PDB
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| DrugBank
Article
PubMed
| 33.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Centre for Addiction and Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 59: 427-33 (2001)
Article DOI: 10.1124/mol.59.3.427
BindingDB Entry DOI: 10.7270/Q22Z1438 |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB
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| DrugBank
Article
PubMed
| 50.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Centre for Addiction and Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 59: 427-33 (2001)
Article DOI: 10.1124/mol.59.3.427
BindingDB Entry DOI: 10.7270/Q22Z1438 |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50079527
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- | PDB
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| Article
PubMed
| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Centre for Addiction and Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 59: 427-33 (2001)
Article DOI: 10.1124/mol.59.3.427
BindingDB Entry DOI: 10.7270/Q22Z1438 |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50017657
(1-(Diphenylmethyl)-4-(3-phenyl-2-propenyl)piperazi...)Show SMILES C(\C=C\c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+ | PDB
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| 142 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Centre for Addiction and Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 59: 427-33 (2001)
Article DOI: 10.1124/mol.59.3.427
BindingDB Entry DOI: 10.7270/Q22Z1438 |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50017696
((2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiaz...)Show InChI InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3 | PDB
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| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Centre for Addiction and Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 59: 427-33 (2001)
Article DOI: 10.1124/mol.59.3.427
BindingDB Entry DOI: 10.7270/Q22Z1438 |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50017721
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16| Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3 | PDB
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| Article
PubMed
| 202 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Centre for Addiction and Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 59: 427-33 (2001)
Article DOI: 10.1124/mol.59.3.427
BindingDB Entry DOI: 10.7270/Q22Z1438 |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM85747
(CAS_442-52-4 | CLEMIZOLE HYDROCHLORIDE | NSC_2782 ...)Show InChI InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2 | PDB
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| Article
PubMed
| 402 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Centre for Addiction and Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 59: 427-33 (2001)
Article DOI: 10.1124/mol.59.3.427
BindingDB Entry DOI: 10.7270/Q22Z1438 |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM35256
((S)-mianserin | Lerivon | MIANSERIN | MIANSERIN (+...)Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1 | PDB
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| 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Centre for Addiction and Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 59: 427-33 (2001)
Article DOI: 10.1124/mol.59.3.427
BindingDB Entry DOI: 10.7270/Q22Z1438 |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM22869
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3 | PDB
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| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Centre for Addiction and Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 59: 427-33 (2001)
Article DOI: 10.1124/mol.59.3.427
BindingDB Entry DOI: 10.7270/Q22Z1438 |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM35938
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3 | PDB
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| 2.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Centre for Addiction and Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 59: 427-33 (2001)
Article DOI: 10.1124/mol.59.3.427
BindingDB Entry DOI: 10.7270/Q22Z1438 |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | 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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Article
PubMed
| 3.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Centre for Addiction and Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 59: 427-33 (2001)
Article DOI: 10.1124/mol.59.3.427
BindingDB Entry DOI: 10.7270/Q22Z1438 |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM22911
(2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...)Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10) | PDB
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| PDB
Article
PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Centre for Addiction and Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 59: 427-33 (2001)
Article DOI: 10.1124/mol.59.3.427
BindingDB Entry DOI: 10.7270/Q22Z1438 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50017656
(CHEMBL1193 | Dimethyl-(3-phenyl-3-pyridin-2-yl-pro...)Show InChI InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3 | PDB
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| 4.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Centre for Addiction and Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 59: 427-33 (2001)
Article DOI: 10.1124/mol.59.3.427
BindingDB Entry DOI: 10.7270/Q22Z1438 |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM22889
((Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidaz...)Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Centre for Addiction and Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 59: 427-33 (2001)
Article DOI: 10.1124/mol.59.3.427
BindingDB Entry DOI: 10.7270/Q22Z1438 |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM22883
(CHEMBL12344 | Dimaprit | [3-(carbamimidoylsulfanyl...)Show InChI InChI=1S/C6H15N3S/c1-9(2)4-3-5-10-6(7)8/h3-5H2,1-2H3,(H3,7,8) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Centre for Addiction and Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 59: 427-33 (2001)
Article DOI: 10.1124/mol.59.3.427
BindingDB Entry DOI: 10.7270/Q22Z1438 |
More data for this
Ligand-Target Pair | |
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