Found 357 hits with Last Name = 'kiss' and Initial = 'r' 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)) | 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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Article
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells |
J Med Chem 51: 3145-53 (2008)
Article DOI: 10.1021/jm7014777
BindingDB Entry DOI: 10.7270/Q2M046BP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histamine H4 receptor
(Homo sapiens (Human)) | 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) | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells |
J Med Chem 51: 3145-53 (2008)
Article DOI: 10.1021/jm7014777
BindingDB Entry DOI: 10.7270/Q2M046BP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
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| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane |
Bioorg Med Chem Lett 19: 3471-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM22913
(CHEMBL1237146 | CHEMBL498770 | Iodophenpropit | {[...)Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12| Show InChI InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20) | PDB
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| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells |
J Med Chem 51: 3145-53 (2008)
Article DOI: 10.1021/jm7014777
BindingDB Entry DOI: 10.7270/Q2M046BP |
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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| 13.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells |
J Med Chem 51: 3145-53 (2008)
Article DOI: 10.1021/jm7014777
BindingDB Entry DOI: 10.7270/Q2M046BP |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM22566
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells |
J Med Chem 51: 3145-53 (2008)
Article DOI: 10.1021/jm7014777
BindingDB Entry DOI: 10.7270/Q2M046BP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50268759
(CHEMBL496032 | N-butyl-2-chloro-N-(2-(4-(4-chlorop...)Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(Cl)cc1)C(=O)C(C)Cl Show InChI InChI=1S/C26H27Cl2N3O2/c1-3-4-15-29(26(33)18(2)27)17-24(32)31-22-9-6-5-8-21(22)30-16-7-10-23(30)25(31)19-11-13-20(28)14-12-19/h5-14,16,18,25H,3-4,15,17H2,1-2H3 | PDB
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| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane |
Bioorg Med Chem Lett 19: 3471-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50268683
(CHEMBL496812 | N-butyl-2-chloro-N-(2-(4-(4-methoxy...)Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)C(C)Cl Show InChI InChI=1S/C27H30ClN3O3/c1-4-5-16-29(27(33)19(2)28)18-25(32)31-23-10-7-6-9-22(23)30-17-8-11-24(30)26(31)20-12-14-21(34-3)15-13-20/h6-15,17,19,26H,4-5,16,18H2,1-3H3 | PDB
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| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane |
Bioorg Med Chem Lett 19: 3471-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50268633
(CHEMBL498425 | N-butyl-N-(2-(4-(4-methoxyphenyl)py...)Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)C1CC1 Show InChI InChI=1S/C28H31N3O3/c1-3-4-17-29(28(33)21-11-12-21)19-26(32)31-24-9-6-5-8-23(24)30-18-7-10-25(30)27(31)20-13-15-22(34-2)16-14-20/h5-10,13-16,18,21,27H,3-4,11-12,17,19H2,1-2H3 | PDB
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| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane |
Bioorg Med Chem Lett 19: 3471-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50261080
(N-(amino(4,6-dimethylpyrimidin-2-ylamino)methylene...)Show SMILES Cc1cc(C)nc(n1)[NH+]=C(N)NCCc1cnc[nH]1 |w:8.8| Show InChI InChI=1S/C12H17N7/c1-8-5-9(2)18-12(17-8)19-11(13)15-4-3-10-6-14-7-16-10/h5-7H,3-4H2,1-2H3,(H,14,16)(H3,13,15,17,18,19)/p+1 | PDB
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| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells |
J Med Chem 51: 3145-53 (2008)
Article DOI: 10.1021/jm7014777
BindingDB Entry DOI: 10.7270/Q2M046BP |
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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| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells |
J Med Chem 51: 3145-53 (2008)
Article DOI: 10.1021/jm7014777
BindingDB Entry DOI: 10.7270/Q2M046BP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50408099
(CHEMBL57087)Show SMILES CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCCCCc2ccccc2)CCCCC1 Show InChI InChI=1S/C25H38N2O3/c1-25(16-8-3-9-17-25)20-26-24(29)27-18-10-6-15-22(27)23(28)30-19-11-7-14-21-12-4-2-5-13-21/h2,4-5,12-13,22H,3,6-11,14-20H2,1H3,(H,26,29)/t22-/m0/s1 | PDB
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12 |
J Med Chem 39: 1872-84 (1996)
Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50268634
(CHEMBL498627 | N-butyl-N-(2-(4-(4-methoxyphenyl)py...)Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)C(C)C Show InChI InChI=1S/C28H33N3O3/c1-5-6-17-29(28(33)20(2)3)19-26(32)31-24-11-8-7-10-23(24)30-18-9-12-25(30)27(31)21-13-15-22(34-4)16-14-21/h7-16,18,20,27H,5-6,17,19H2,1-4H3 | PDB
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| 124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane |
Bioorg Med Chem Lett 19: 3471-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50268514
(CHEMBL522247 | N-butyl-2-chloro-N-(2-(4-(4-methoxy...)Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)c1ccccc1Cl Show InChI InChI=1S/C31H30ClN3O3/c1-3-4-19-33(31(37)24-10-5-6-11-25(24)32)21-29(36)35-27-13-8-7-12-26(27)34-20-9-14-28(34)30(35)22-15-17-23(38-2)18-16-22/h5-18,20,30H,3-4,19,21H2,1-2H3 | PDB
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| 137 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane |
Bioorg Med Chem Lett 19: 3471-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50408102
(CHEMBL55646)Show SMILES CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)OCCCCc1ccccc1 Show InChI InChI=1S/C22H34N2O3/c1-22(2,3)17-23-21(26)24-15-9-7-14-19(24)20(25)27-16-10-8-13-18-11-5-4-6-12-18/h4-6,11-12,19H,7-10,13-17H2,1-3H3,(H,23,26)/t19-/m0/s1 | PDB
MMDB
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12 |
J Med Chem 39: 1872-84 (1996)
Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50268758
(CHEMBL495836 | N-butyl-2-chloro-N-(2-(4-(4-fluorop...)Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(F)cc1)C(=O)C(C)Cl Show InChI InChI=1S/C26H27ClFN3O2/c1-3-4-15-29(26(33)18(2)27)17-24(32)31-22-9-6-5-8-21(22)30-16-7-10-23(30)25(31)19-11-13-20(28)14-12-19/h5-14,16,18,25H,3-4,15,17H2,1-2H3 | PDB
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| 162 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane |
Bioorg Med Chem Lett 19: 3471-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | 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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| 184 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells |
J Med Chem 51: 3145-53 (2008)
Article DOI: 10.1021/jm7014777
BindingDB Entry DOI: 10.7270/Q2M046BP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50408104
(CHEMBL292238)Show SMILES CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCc2cccc(Oc3ccccc3)c2)CCCCC1 Show InChI InChI=1S/C28H36N2O4/c1-28(16-7-3-8-17-28)21-29-27(32)30-18-9-6-15-25(30)26(31)33-20-22-11-10-14-24(19-22)34-23-12-4-2-5-13-23/h2,4-5,10-14,19,25H,3,6-9,15-18,20-21H2,1H3,(H,29,32)/t25-/m0/s1 | PDB
MMDB
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PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12 |
J Med Chem 39: 1872-84 (1996)
Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50268632
(CHEMBL498424 | N-butyl-N-(2-(4-(4-methoxyphenyl)py...)Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)C1CCC1 Show InChI InChI=1S/C29H33N3O3/c1-3-4-18-30(29(34)22-9-7-10-22)20-27(33)32-25-12-6-5-11-24(25)31-19-8-13-26(31)28(32)21-14-16-23(35-2)17-15-21/h5-6,8,11-17,19,22,28H,3-4,7,9-10,18,20H2,1-2H3 | PDB
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| 214 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane |
Bioorg Med Chem Lett 19: 3471-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50261081
([amino({2-[(1Z)-4-{[4-(ethoxycarbonyl)phenyl]amino...)Show SMILES CCOC(=O)c1ccc(Nc2cc(O)c(N=[NH+]C(N)=N)c3ccccc23)cc1 |w:15.14| Show InChI InChI=1S/C20H19N5O3/c1-2-28-19(27)12-7-9-13(10-8-12)23-16-11-17(26)18(24-25-20(21)22)15-6-4-3-5-14(15)16/h3-11,23,26H,2H2,1H3,(H3,21,22)/p+1 | PDB
Reactome pathway
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UniChem
| Article
PubMed
| 219 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells |
J Med Chem 51: 3145-53 (2008)
Article DOI: 10.1021/jm7014777
BindingDB Entry DOI: 10.7270/Q2M046BP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50268454
(2-chloro-N-isopropyl-N-(2-(4-(4-methoxyphenyl)pyrr...)Show SMILES COc1ccc(cc1)C1N(C(=O)CN(C(C)C)C(=O)C(C)Cl)c2ccccc2-n2cccc12 Show InChI InChI=1S/C26H28ClN3O3/c1-17(2)29(26(32)18(3)27)16-24(31)30-22-9-6-5-8-21(22)28-15-7-10-23(28)25(30)19-11-13-20(33-4)14-12-19/h5-15,17-18,25H,16H2,1-4H3 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane |
Bioorg Med Chem Lett 19: 3471-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50408110
(CHEMBL293284)Show SMILES CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C25H32N2O4/c1-25(2,3)18-26-24(29)27-15-8-7-14-22(27)23(28)30-17-19-10-9-13-21(16-19)31-20-11-5-4-6-12-20/h4-6,9-13,16,22H,7-8,14-15,17-18H2,1-3H3,(H,26,29)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12 |
J Med Chem 39: 1872-84 (1996)
Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50268569
(CHEMBL496596 | N-butyl-N-(2-(4-(4-methoxyphenyl)py...)Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)CC(C)C Show InChI InChI=1S/C29H35N3O3/c1-5-6-17-30(27(33)19-21(2)3)20-28(34)32-25-11-8-7-10-24(25)31-18-9-12-26(31)29(32)22-13-15-23(35-4)16-14-22/h7-16,18,21,29H,5-6,17,19-20H2,1-4H3 | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| 236 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane |
Bioorg Med Chem Lett 19: 3471-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50268721
(CHEMBL496221 | N-butyl-2-chloro-N-(2-oxo-2-(4-phen...)Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccccc1)C(=O)C(C)Cl Show InChI InChI=1S/C26H28ClN3O2/c1-3-4-16-28(26(32)19(2)27)18-24(31)30-22-14-9-8-13-21(22)29-17-10-15-23(29)25(30)20-11-6-5-7-12-20/h5-15,17,19,25H,3-4,16,18H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane |
Bioorg Med Chem Lett 19: 3471-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | 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) | PDB
Reactome pathway
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CHEMBL
MCE
MMDB
PC cid
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PDB
UniChem
Patents
Similars
| Article
PubMed
| 328 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells |
J Med Chem 51: 3145-53 (2008)
Article DOI: 10.1021/jm7014777
BindingDB Entry DOI: 10.7270/Q2M046BP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50268568
(CHEMBL521738 | N-butyl-2-fluoro-N-(2-(4-(4-methoxy...)Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)c1ccccc1F Show InChI InChI=1S/C31H30FN3O3/c1-3-4-19-33(31(37)24-10-5-6-11-25(24)32)21-29(36)35-27-13-8-7-12-26(27)34-20-9-14-28(34)30(35)22-15-17-23(38-2)18-16-22/h5-18,20,30H,3-4,19,21H2,1-2H3 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 349 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane |
Bioorg Med Chem Lett 19: 3471-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50408096
(CHEMBL301025)Show SMILES CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H36N2O3/c1-27(2,3)20-28-26(31)29-19-11-10-16-23(29)25(30)32-24(22-14-8-5-9-15-22)18-17-21-12-6-4-7-13-21/h4-9,12-15,23-24H,10-11,16-20H2,1-3H3,(H,28,31)/t23-,24+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12 |
J Med Chem 39: 1872-84 (1996)
Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50408101
(CHEMBL293519)Show SMILES COc1cccc(CCCOC(=O)[C@@H]2CCCCN2C(=O)NCC(C)(C)C)c1 Show InChI InChI=1S/C22H34N2O4/c1-22(2,3)16-23-21(26)24-13-6-5-12-19(24)20(25)28-14-8-10-17-9-7-11-18(15-17)27-4/h7,9,11,15,19H,5-6,8,10,12-14,16H2,1-4H3,(H,23,26)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12 |
J Med Chem 39: 1872-84 (1996)
Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50408094
(CHEMBL59256)Show SMILES COc1cc(CCCOC(=O)[C@@H]2CCCCN2C(=O)NCC(C)(C)C)cc(OC)c1OC Show InChI InChI=1S/C24H38N2O6/c1-24(2,3)16-25-23(28)26-12-8-7-11-18(26)22(27)32-13-9-10-17-14-19(29-4)21(31-6)20(15-17)30-5/h14-15,18H,7-13,16H2,1-6H3,(H,25,28)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12 |
J Med Chem 39: 1872-84 (1996)
Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50268682
(CHEMBL496207 | N-butyl-2-methoxy-N-(2-(4-(4-methox...)Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)COC Show InChI InChI=1S/C27H31N3O4/c1-4-5-16-28(26(32)19-33-2)18-25(31)30-23-10-7-6-9-22(23)29-17-8-11-24(29)27(30)20-12-14-21(34-3)15-13-20/h6-15,17,27H,4-5,16,18-19H2,1-3H3 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
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PubMed
| 461 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane |
Bioorg Med Chem Lett 19: 3471-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50268567
(CHEMBL497006 | N-butyl-N-(2-(4-(4-methoxyphenyl)py...)Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)c1ccccc1C Show InChI InChI=1S/C32H33N3O3/c1-4-5-20-33(32(37)26-12-7-6-11-23(26)2)22-30(36)35-28-14-9-8-13-27(28)34-21-10-15-29(34)31(35)24-16-18-25(38-3)19-17-24/h6-19,21,31H,4-5,20,22H2,1-3H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 503 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane |
Bioorg Med Chem Lett 19: 3471-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50268681
(CHEMBL521717 | N-butyl-N-(2-(4-(4-methoxyphenyl)py...)Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)CC Show InChI InChI=1S/C27H31N3O3/c1-4-6-17-28(25(31)5-2)19-26(32)30-23-11-8-7-10-22(23)29-18-9-12-24(29)27(30)20-13-15-21(33-3)16-14-20/h7-16,18,27H,4-6,17,19H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 539 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane |
Bioorg Med Chem Lett 19: 3471-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50408105
(CHEMBL294146)Show SMILES CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCc2ccccc2)CCCCC1 Show InChI InChI=1S/C22H32N2O3/c1-22(13-7-3-8-14-22)17-23-21(26)24-15-9-6-12-19(24)20(25)27-16-18-10-4-2-5-11-18/h2,4-5,10-11,19H,3,6-9,12-17H2,1H3,(H,23,26)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12 |
J Med Chem 39: 1872-84 (1996)
Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50408100
(CHEMBL57674)Show SMILES CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCc2ccccc2)CCCC1 Show InChI InChI=1S/C21H30N2O3/c1-21(12-6-7-13-21)16-22-20(25)23-14-8-5-11-18(23)19(24)26-15-17-9-3-2-4-10-17/h2-4,9-10,18H,5-8,11-16H2,1H3,(H,22,25)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12 |
J Med Chem 39: 1872-84 (1996)
Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50268570
(CHEMBL496597 | N-butyl-N-(2-(4-(4-methoxyphenyl)py...)Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)C1CCCC1 Show InChI InChI=1S/C30H35N3O3/c1-3-4-19-31(30(35)23-10-5-6-11-23)21-28(34)33-26-13-8-7-12-25(26)32-20-9-14-27(32)29(33)22-15-17-24(36-2)18-16-22/h7-9,12-18,20,23,29H,3-6,10-11,19,21H2,1-2H3 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
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PubMed
| 602 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane |
Bioorg Med Chem Lett 19: 3471-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50408103
(CHEMBL293294)Show InChI InChI=1S/C19H28N2O3/c1-19(2,3)14-20-18(23)21-12-8-7-11-16(21)17(22)24-13-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3,(H,20,23)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12 |
J Med Chem 39: 1872-84 (1996)
Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50268513
(CHEMBL526749 | N-butyl-3,5-dichloro-N-(2-(4-(4-met...)Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C31H29Cl2N3O3/c1-3-4-15-34(31(38)22-17-23(32)19-24(33)18-22)20-29(37)36-27-9-6-5-8-26(27)35-16-7-10-28(35)30(36)21-11-13-25(39-2)14-12-21/h5-14,16-19,30H,3-4,15,20H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 831 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane |
Bioorg Med Chem Lett 19: 3471-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50261079
((4Z,6E)-2,10-diamino-5,7-dimethyl-1,3,4,8,9,11-hex...)Show SMILES [#6]-[#6](-[#6]-[#6](-[#6])=[#7]\[#7+]=[#6](\[#7])-[#7])=[#7]\[#7+]=[#6](\[#7])-[#7] |w:5.5,10.10| Show InChI InChI=1S/C7H16N8/c1-4(12-14-6(8)9)3-5(2)13-15-7(10)11/h3H2,1-2H3,(H4,8,9,14)(H4,10,11,15)/p+2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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GoogleScholar
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| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 897 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells |
J Med Chem 51: 3145-53 (2008)
Article DOI: 10.1021/jm7014777
BindingDB Entry DOI: 10.7270/Q2M046BP |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50261037
([amino({[6-({[amino(iminiumyl)methyl]amino}methyl)...)Show SMILES [#7]\[#6](-[#7])=[#7+]\[#6]-c1cccc(-[#6]\[#7+]=[#6](\[#7])-[#7])n1 Show InChI InChI=1S/C9H15N7/c10-8(11)14-4-6-2-1-3-7(16-6)5-15-9(12)13/h1-3H,4-5H2,(H4,10,11,14)(H4,12,13,15)/p+2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells |
J Med Chem 51: 3145-53 (2008)
Article DOI: 10.1021/jm7014777
BindingDB Entry DOI: 10.7270/Q2M046BP |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50261036
((E)-{amino[(Z)-2-(1-{12-[(1Z)-1-(2-methylcarbamimi...)Show SMILES CNC(N)=NN=C(C)c1ccc2sc3ccc(cc3c2c1)C(C)=N[NH+]=C(N)NC |w:5.4,2.2,23.26,25.28| Show InChI InChI=1S/C20H24N8S/c1-11(25-27-19(21)23-3)13-5-7-17-15(9-13)16-10-14(6-8-18(16)29-17)12(2)26-28-20(22)24-4/h5-10H,1-4H3,(H3,21,23,27)(H3,22,24,28)/p+1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells |
J Med Chem 51: 3145-53 (2008)
Article DOI: 10.1021/jm7014777
BindingDB Entry DOI: 10.7270/Q2M046BP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50408107
(CHEMBL56789)Show InChI InChI=1S/C21H24N2O3/c24-20(26-16-18-11-5-2-6-12-18)19-13-7-8-14-23(19)21(25)22-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,22,25)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12 |
J Med Chem 39: 1872-84 (1996)
Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50408097
(CHEMBL56270)Show InChI InChI=1S/C18H24N2O3/c1-14(2)12-19-18(22)20-11-7-6-10-16(20)17(21)23-13-15-8-4-3-5-9-15/h3-5,8-9,16H,1,6-7,10-13H2,2H3,(H,19,22)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12 |
J Med Chem 39: 1872-84 (1996)
Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50408109
(CHEMBL54055)Show SMILES CC(C)(CO)CNC(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1 Show InChI InChI=1S/C19H28N2O4/c1-19(2,14-22)13-20-18(24)21-11-7-6-10-16(21)17(23)25-12-15-8-4-3-5-9-15/h3-5,8-9,16,22H,6-7,10-14H2,1-2H3,(H,20,24)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12 |
J Med Chem 39: 1872-84 (1996)
Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50408106
(CHEMBL56927)Show SMILES O=C(OCc1ccccc1)[C@@H]1CCC[C@H]2CCN(Cc3ccccc3)C(=O)N12 Show InChI InChI=1S/C23H26N2O3/c26-22(28-17-19-10-5-2-6-11-19)21-13-7-12-20-14-15-24(23(27)25(20)21)16-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12 |
J Med Chem 39: 1872-84 (1996)
Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50408098
(CHEMBL298828)Show SMILES CCCN1CC[C@@H]2CCC[C@H](N2C1=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C19H26N2O3/c1-2-12-20-13-11-16-9-6-10-17(21(16)19(20)23)18(22)24-14-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3/t16-,17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12 |
J Med Chem 39: 1872-84 (1996)
Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50408095
(CHEMBL292166)Show SMILES COC(=O)[C@@H]1CCC[C@H]2CCN(Cc3ccccc3)C(=O)N12 Show InChI InChI=1S/C17H22N2O3/c1-22-16(20)15-9-5-8-14-10-11-18(17(21)19(14)15)12-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3/t14-,15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12 |
J Med Chem 39: 1872-84 (1996)
Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50408108
(CHEMBL299276)Show InChI InChI=1S/C13H22N2O3/c1-3-8-14-9-7-10-5-4-6-11(12(16)18-2)15(10)13(14)17/h10-11H,3-9H2,1-2H3/t10-,11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 8.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12 |
J Med Chem 39: 1872-84 (1996)
Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50434372
(CHEMBL2386889)Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3/t9-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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CHEMBL
MCE
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Texas State University-San Marcos
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant His-tagged CHK1 (unknown origin) expressed in baculovirus expression system using CDC25C and ATP as substrate a... |
J Med Chem 56: 4823-39 (2013)
Article DOI: 10.1021/jm400136m
BindingDB Entry DOI: 10.7270/Q2D2200S |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50216416
(1-(4-bromo-benzyl)-5-[2-(pyridin-3-yl-oxymethyl)-p...)Show SMILES Brc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 Show InChI InChI=1S/C25H22BrN3O5S/c26-18-7-5-17(6-8-18)15-28-23-10-9-21(13-22(23)24(30)25(28)31)35(32,33)29-12-2-3-19(29)16-34-20-4-1-11-27-14-20/h1,4-11,13-14,19H,2-3,12,15-16H2/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
J Med Chem 50: 3751-5 (2007)
Article DOI: 10.1021/jm070506t
BindingDB Entry DOI: 10.7270/Q2JW8DMM |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50216421
(1-(4-hydroxy-benzyl)-5-[2-(pyridin-3-yl-oxymethyl)...)Show SMILES Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 Show InChI InChI=1S/C25H23N3O6S/c29-19-7-5-17(6-8-19)15-27-23-10-9-21(13-22(23)24(30)25(27)31)35(32,33)28-12-2-3-18(28)16-34-20-4-1-11-26-14-20/h1,4-11,13-14,18,29H,2-3,12,15-16H2/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase 3 |
J Med Chem 50: 3751-5 (2007)
Article DOI: 10.1021/jm070506t
BindingDB Entry DOI: 10.7270/Q2JW8DMM |
More data for this
Ligand-Target Pair | |
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