Found 49 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 H3 receptor
(GUINEA PIG) | BDBM50441652
(CHEMBL2437433)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3cnccn3)c2=O)ccn1 Show InChI InChI=1S/C28H31FN8O2/c29-21-1-2-23-24(16-21)37(26-17-31-9-10-33-26)28(39)36(23)22-6-13-35(14-7-22)27(38)20-4-11-34(12-5-20)18-19-3-8-32-25(30)15-19/h1-3,8-10,15-17,20,22H,4-7,11-14,18H2,(H2,30,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441649
(CHEMBL2437416)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)ccn1 Show InChI InChI=1S/C24H30N6O2/c25-22-15-17(5-10-26-22)16-28-11-6-18(7-12-28)23(31)29-13-8-19(9-14-29)30-21-4-2-1-3-20(21)27-24(30)32/h1-5,10,15,18-19H,6-9,11-14,16H2,(H2,25,26)(H,27,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441646
(CHEMBL2437421)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccccc3n(CCN3CCOCC3)c2=O)ccn1 Show InChI InChI=1S/C30H41N7O3/c31-28-21-23(5-10-32-28)22-34-11-6-24(7-12-34)29(38)35-13-8-25(9-14-35)37-27-4-2-1-3-26(27)36(30(37)39)16-15-33-17-19-40-20-18-33/h1-5,10,21,24-25H,6-9,11-20,22H2,(H2,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441637
(CHEMBL2437430)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3cc(F)cc(F)c3)c2=O)ccn1 Show InChI InChI=1S/C30H31F3N6O2/c31-21-1-2-26-27(17-21)39(25-15-22(32)14-23(33)16-25)30(41)38(26)24-6-11-37(12-7-24)29(40)20-4-9-36(10-5-20)18-19-3-8-35-28(34)13-19/h1-3,8,13-17,20,24H,4-7,9-12,18H2,(H2,34,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441642
(CHEMBL2437425)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CC(F)(F)F)c2=O)ccn1 Show InChI InChI=1S/C26H30F4N6O2/c27-19-1-2-21-22(14-19)35(16-26(28,29)30)25(38)36(21)20-6-11-34(12-7-20)24(37)18-4-9-33(10-5-18)15-17-3-8-32-23(31)13-17/h1-3,8,13-14,18,20H,4-7,9-12,15-16H2,(H2,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441647
(CHEMBL2437420)Show SMILES COCCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccnc(N)c3)CC2)c1=O Show InChI InChI=1S/C27H36N6O3/c1-36-17-16-32-23-4-2-3-5-24(23)33(27(32)35)22-9-14-31(15-10-22)26(34)21-7-12-30(13-8-21)19-20-6-11-29-25(28)18-20/h2-6,11,18,21-22H,7-10,12-17,19H2,1H3,(H2,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441641
(CHEMBL2437426)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CC3CC3)c2=O)ccn1 Show InChI InChI=1S/C28H35FN6O2/c29-22-3-4-24-25(16-22)34(18-19-1-2-19)28(37)35(24)23-8-13-33(14-9-23)27(36)21-6-11-32(12-7-21)17-20-5-10-31-26(30)15-20/h3-5,10,15-16,19,21,23H,1-2,6-9,11-14,17-18H2,(H2,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441645
(CHEMBL2437422)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CCN3CCOCC3)c2=O)ccn1 Show InChI InChI=1S/C30H40FN7O3/c31-24-1-2-26-27(20-24)37(14-13-34-15-17-41-18-16-34)30(40)38(26)25-6-11-36(12-7-25)29(39)23-4-9-35(10-5-23)21-22-3-8-33-28(32)19-22/h1-3,8,19-20,23,25H,4-7,9-18,21H2,(H2,32,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441654
(CHEMBL2437431)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3ccccn3)c2=O)ccn1 Show InChI InChI=1S/C29H32FN7O2/c30-22-4-5-24-25(18-22)37(27-3-1-2-11-33-27)29(39)36(24)23-9-15-35(16-10-23)28(38)21-7-13-34(14-8-21)19-20-6-12-32-26(31)17-20/h1-6,11-12,17-18,21,23H,7-10,13-16,19H2,(H2,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441638
(CHEMBL2437429)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3ccc(F)c(F)c3)c2=O)ccn1 Show InChI InChI=1S/C30H31F3N6O2/c31-21-1-4-26-27(16-21)39(23-2-3-24(32)25(33)17-23)30(41)38(26)22-8-13-37(14-9-22)29(40)20-6-11-36(12-7-20)18-19-5-10-35-28(34)15-19/h1-5,10,15-17,20,22H,6-9,11-14,18H2,(H2,34,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441644
(CHEMBL2437423)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CCCC(F)(F)F)c2=O)ccn1 Show InChI InChI=1S/C28H34F4N6O2/c29-21-2-3-23-24(17-21)37(11-1-9-28(30,31)32)27(40)38(23)22-7-14-36(15-8-22)26(39)20-5-12-35(13-6-20)18-19-4-10-34-25(33)16-19/h2-4,10,16-17,20,22H,1,5-9,11-15,18H2,(H2,33,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441653
(CHEMBL2437432)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3ncccn3)c2=O)ccn1 Show InChI InChI=1S/C28H31FN8O2/c29-21-2-3-23-24(17-21)37(27-32-9-1-10-33-27)28(39)36(23)22-7-14-35(15-8-22)26(38)20-5-12-34(13-6-20)18-19-4-11-31-25(30)16-19/h1-4,9-11,16-17,20,22H,5-8,12-15,18H2,(H2,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441651
(CHEMBL2437417)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccccc3n(CCCC(F)(F)F)c2=O)ccn1 Show InChI InChI=1S/C28H35F3N6O2/c29-28(30,31)11-3-13-36-23-4-1-2-5-24(23)37(27(36)39)22-9-16-35(17-10-22)26(38)21-7-14-34(15-8-21)19-20-6-12-33-25(32)18-20/h1-2,4-6,12,18,21-22H,3,7-11,13-17,19H2,(H2,32,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441640
(CHEMBL2437427)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(C3CCCC3)c2=O)ccn1 Show InChI InChI=1S/C29H37FN6O2/c30-22-5-6-25-26(18-22)36(23-3-1-2-4-23)29(38)35(25)24-10-15-34(16-11-24)28(37)21-8-13-33(14-9-21)19-20-7-12-32-27(31)17-20/h5-7,12,17-18,21,23-24H,1-4,8-11,13-16,19H2,(H2,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441655
(CHEMBL2437415)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(Cc3ccccc3)c2=O)ccn1 Show InChI InChI=1S/C31H35FN6O2/c32-25-6-7-27-28(19-25)37(21-22-4-2-1-3-5-22)31(40)38(27)26-11-16-36(17-12-26)30(39)24-9-14-35(15-10-24)20-23-8-13-34-29(33)18-23/h1-8,13,18-19,24,26H,9-12,14-17,20-21H2,(H2,33,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441643
(CHEMBL2437424)Show SMILES CC(C)Cn1c2cc(F)ccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccnc(N)c3)CC2)c1=O Show InChI InChI=1S/C28H37FN6O2/c1-19(2)17-34-25-16-22(29)3-4-24(25)35(28(34)37)23-8-13-33(14-9-23)27(36)21-6-11-32(12-7-21)18-20-5-10-31-26(30)15-20/h3-5,10,15-16,19,21,23H,6-9,11-14,17-18H2,1-2H3,(H2,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441656
(CHEMBL2437414)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccccc3n(Cc3ccc(Cl)cc3)c2=O)ccn1 Show InChI InChI=1S/C31H35ClN6O2/c32-25-7-5-22(6-8-25)21-37-27-3-1-2-4-28(27)38(31(37)40)26-12-17-36(18-13-26)30(39)24-10-15-35(16-11-24)20-23-9-14-34-29(33)19-23/h1-9,14,19,24,26H,10-13,15-18,20-21H2,(H2,33,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441639
(CHEMBL2437428)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CC3CCCCC3)c2=O)ccn1 Show InChI InChI=1S/C31H41FN6O2/c32-25-6-7-27-28(19-25)37(21-22-4-2-1-3-5-22)31(40)38(27)26-11-16-36(17-12-26)30(39)24-9-14-35(15-10-24)20-23-8-13-34-29(33)18-23/h6-8,13,18-19,22,24,26H,1-5,9-12,14-17,20-21H2,(H2,33,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441650
(CHEMBL2437418)Show SMILES CC(c1ccc(Cl)c(Cl)c1)n1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccnc(N)c3)CC2)c1=O Show InChI InChI=1S/C32H36Cl2N6O2/c1-21(24-6-7-26(33)27(34)19-24)39-28-4-2-3-5-29(28)40(32(39)42)25-11-16-38(17-12-25)31(41)23-9-14-37(15-10-23)20-22-8-13-36-30(35)18-22/h2-8,13,18-19,21,23,25H,9-12,14-17,20H2,1H3,(H2,35,36) | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441648
(CHEMBL2437419)Show SMILES CC(c1ccc(cc1)-c1ccc(F)cc1)n1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccnc(N)c3)CC2)c1=O Show InChI InChI=1S/C38H41FN6O2/c1-26(28-6-8-29(9-7-28)30-10-12-32(39)13-11-30)44-34-4-2-3-5-35(34)45(38(44)47)33-17-22-43(23-18-33)37(46)31-15-20-42(21-16-31)25-27-14-19-41-36(40)24-27/h2-14,19,24,26,31,33H,15-18,20-23,25H2,1H3,(H2,40,41) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441644
(CHEMBL2437423)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CCCC(F)(F)F)c2=O)ccn1 Show InChI InChI=1S/C28H34F4N6O2/c29-21-2-3-23-24(17-21)37(11-1-9-28(30,31)32)27(40)38(23)22-7-14-36(15-8-22)26(39)20-5-12-35(13-6-20)18-19-4-10-34-25(33)16-19/h2-4,10,16-17,20,22H,1,5-9,11-15,18H2,(H2,33,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441649
(CHEMBL2437416)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)ccn1 Show InChI InChI=1S/C24H30N6O2/c25-22-15-17(5-10-26-22)16-28-11-6-18(7-12-28)23(31)29-13-8-19(9-14-29)30-21-4-2-1-3-20(21)27-24(30)32/h1-5,10,15,18-19H,6-9,11-14,16H2,(H2,25,26)(H,27,32) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441647
(CHEMBL2437420)Show SMILES COCCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccnc(N)c3)CC2)c1=O Show InChI InChI=1S/C27H36N6O3/c1-36-17-16-32-23-4-2-3-5-24(23)33(27(32)35)22-9-14-31(15-10-22)26(34)21-7-12-30(13-8-21)19-20-6-11-29-25(28)18-20/h2-6,11,18,21-22H,7-10,12-17,19H2,1H3,(H2,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441639
(CHEMBL2437428)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CC3CCCCC3)c2=O)ccn1 Show InChI InChI=1S/C31H41FN6O2/c32-25-6-7-27-28(19-25)37(21-22-4-2-1-3-5-22)31(40)38(27)26-11-16-36(17-12-26)30(39)24-9-14-35(15-10-24)20-23-8-13-34-29(33)18-23/h6-8,13,18-19,22,24,26H,1-5,9-12,14-17,20-21H2,(H2,33,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441645
(CHEMBL2437422)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CCN3CCOCC3)c2=O)ccn1 Show InChI InChI=1S/C30H40FN7O3/c31-24-1-2-26-27(20-24)37(14-13-34-15-17-41-18-16-34)30(40)38(26)25-6-11-36(12-7-25)29(39)23-4-9-35(10-5-23)21-22-3-8-33-28(32)19-22/h1-3,8,19-20,23,25H,4-7,9-18,21H2,(H2,32,33) | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441652
(CHEMBL2437433)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3cnccn3)c2=O)ccn1 Show InChI InChI=1S/C28H31FN8O2/c29-21-1-2-23-24(16-21)37(26-17-31-9-10-33-26)28(39)36(23)22-6-13-35(14-7-22)27(38)20-4-11-34(12-5-20)18-19-3-8-32-25(30)15-19/h1-3,8-10,15-17,20,22H,4-7,11-14,18H2,(H2,30,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441640
(CHEMBL2437427)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(C3CCCC3)c2=O)ccn1 Show InChI InChI=1S/C29H37FN6O2/c30-22-5-6-25-26(18-22)36(23-3-1-2-4-23)29(38)35(25)24-10-15-34(16-11-24)28(37)21-8-13-33(14-9-21)19-20-7-12-32-27(31)17-20/h5-7,12,17-18,21,23-24H,1-4,8-11,13-16,19H2,(H2,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441642
(CHEMBL2437425)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CC(F)(F)F)c2=O)ccn1 Show InChI InChI=1S/C26H30F4N6O2/c27-19-1-2-21-22(14-19)35(16-26(28,29)30)25(38)36(21)20-6-11-34(12-7-20)24(37)18-4-9-33(10-5-18)15-17-3-8-32-23(31)13-17/h1-3,8,13-14,18,20H,4-7,9-12,15-16H2,(H2,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441654
(CHEMBL2437431)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3ccccn3)c2=O)ccn1 Show InChI InChI=1S/C29H32FN7O2/c30-22-4-5-24-25(18-22)37(27-3-1-2-11-33-27)29(39)36(24)23-9-15-35(16-10-23)28(38)21-7-13-34(14-8-21)19-20-6-12-32-26(31)17-20/h1-6,11-12,17-18,21,23H,7-10,13-16,19H2,(H2,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441643
(CHEMBL2437424)Show SMILES CC(C)Cn1c2cc(F)ccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccnc(N)c3)CC2)c1=O Show InChI InChI=1S/C28H37FN6O2/c1-19(2)17-34-25-16-22(29)3-4-24(25)35(28(34)37)23-8-13-33(14-9-23)27(36)21-6-11-32(12-7-21)18-20-5-10-31-26(30)15-20/h3-5,10,15-16,19,21,23H,6-9,11-14,17-18H2,1-2H3,(H2,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441651
(CHEMBL2437417)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccccc3n(CCCC(F)(F)F)c2=O)ccn1 Show InChI InChI=1S/C28H35F3N6O2/c29-28(30,31)11-3-13-36-23-4-1-2-5-24(23)37(27(36)39)22-9-16-35(17-10-22)26(38)21-7-14-34(15-8-21)19-20-6-12-33-25(32)18-20/h1-2,4-6,12,18,21-22H,3,7-11,13-17,19H2,(H2,32,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441653
(CHEMBL2437432)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3ncccn3)c2=O)ccn1 Show InChI InChI=1S/C28H31FN8O2/c29-21-2-3-23-24(17-21)37(27-32-9-1-10-33-27)28(39)36(23)22-7-14-35(15-8-22)26(38)20-5-12-34(13-6-20)18-19-4-11-31-25(30)16-19/h1-4,9-11,16-17,20,22H,5-8,12-15,18H2,(H2,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441637
(CHEMBL2437430)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3cc(F)cc(F)c3)c2=O)ccn1 Show InChI InChI=1S/C30H31F3N6O2/c31-21-1-2-26-27(17-21)39(25-15-22(32)14-23(33)16-25)30(41)38(26)24-6-11-37(12-7-24)29(40)20-4-9-36(10-5-20)18-19-3-8-35-28(34)13-19/h1-3,8,13-17,20,24H,4-7,9-12,18H2,(H2,34,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441638
(CHEMBL2437429)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3ccc(F)c(F)c3)c2=O)ccn1 Show InChI InChI=1S/C30H31F3N6O2/c31-21-1-4-26-27(16-21)39(23-2-3-24(32)25(33)17-23)30(41)38(26)22-8-13-37(14-9-22)29(40)20-6-11-36(12-7-20)18-19-5-10-35-28(34)15-19/h1-5,10,15-17,20,22H,6-9,11-14,18H2,(H2,34,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441646
(CHEMBL2437421)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccccc3n(CCN3CCOCC3)c2=O)ccn1 Show InChI InChI=1S/C30H41N7O3/c31-28-21-23(5-10-32-28)22-34-11-6-24(7-12-34)29(38)35-13-8-25(9-14-35)37-27-4-2-1-3-26(27)36(30(37)39)16-15-33-17-19-40-20-18-33/h1-5,10,21,24-25H,6-9,11-20,22H2,(H2,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441641
(CHEMBL2437426)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CC3CC3)c2=O)ccn1 Show InChI InChI=1S/C28H35FN6O2/c29-22-3-4-24-25(16-22)34(18-19-1-2-19)28(37)35(24)23-8-13-33(14-9-23)27(36)21-6-11-32(12-7-21)17-20-5-10-31-26(30)15-20/h3-5,10,15-16,19,21,23H,1-2,6-9,11-14,17-18H2,(H2,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441654
(CHEMBL2437431)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3ccccn3)c2=O)ccn1 Show InChI InChI=1S/C29H32FN7O2/c30-22-4-5-24-25(18-22)37(27-3-1-2-11-33-27)29(39)36(24)23-9-15-35(16-10-23)28(38)21-7-13-34(14-8-21)19-20-6-12-32-26(31)17-20/h1-6,11-12,17-18,21,23H,7-10,13-16,19H2,(H2,31,32) | PDB
UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H3 receptor in electrically stimulated guinea pig ileum |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441642
(CHEMBL2437425)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CC(F)(F)F)c2=O)ccn1 Show InChI InChI=1S/C26H30F4N6O2/c27-19-1-2-21-22(14-19)35(16-26(28,29)30)25(38)36(21)20-6-11-34(12-7-20)24(37)18-4-9-33(10-5-18)15-17-3-8-32-23(31)13-17/h1-3,8,13-14,18,20H,4-7,9-12,15-16H2,(H2,31,32) | PDB
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| n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H3 receptor in electrically stimulated guinea pig ileum |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441641
(CHEMBL2437426)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CC3CC3)c2=O)ccn1 Show InChI InChI=1S/C28H35FN6O2/c29-22-3-4-24-25(16-22)34(18-19-1-2-19)28(37)35(24)23-8-13-33(14-9-23)27(36)21-6-11-32(12-7-21)17-20-5-10-31-26(30)15-20/h3-5,10,15-16,19,21,23H,1-2,6-9,11-14,17-18H2,(H2,30,31) | PDB
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| n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H3 receptor in electrically stimulated guinea pig ileum |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441651
(CHEMBL2437417)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccccc3n(CCCC(F)(F)F)c2=O)ccn1 Show InChI InChI=1S/C28H35F3N6O2/c29-28(30,31)11-3-13-36-23-4-1-2-5-24(23)37(27(36)39)22-9-16-35(17-10-22)26(38)21-7-14-34(15-8-21)19-20-6-12-33-25(32)18-20/h1-2,4-6,12,18,21-22H,3,7-11,13-17,19H2,(H2,32,33) | PDB
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PubMed
| n/a | n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H3 receptor in electrically stimulated guinea pig ileum |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441646
(CHEMBL2437421)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccccc3n(CCN3CCOCC3)c2=O)ccn1 Show InChI InChI=1S/C30H41N7O3/c31-28-21-23(5-10-32-28)22-34-11-6-24(7-12-34)29(38)35-13-8-25(9-14-35)37-27-4-2-1-3-26(27)36(30(37)39)16-15-33-17-19-40-20-18-33/h1-5,10,21,24-25H,6-9,11-20,22H2,(H2,31,32) | PDB
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PubMed
| n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H3 receptor in electrically stimulated guinea pig ileum |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441647
(CHEMBL2437420)Show SMILES COCCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccnc(N)c3)CC2)c1=O Show InChI InChI=1S/C27H36N6O3/c1-36-17-16-32-23-4-2-3-5-24(23)33(27(32)35)22-9-14-31(15-10-22)26(34)21-7-12-30(13-8-21)19-20-6-11-29-25(28)18-20/h2-6,11,18,21-22H,7-10,12-17,19H2,1H3,(H2,28,29) | PDB
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| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H3 receptor in electrically stimulated guinea pig ileum |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441644
(CHEMBL2437423)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CCCC(F)(F)F)c2=O)ccn1 Show InChI InChI=1S/C28H34F4N6O2/c29-21-2-3-23-24(17-21)37(11-1-9-28(30,31)32)27(40)38(23)22-7-14-36(15-8-22)26(39)20-5-12-35(13-6-20)18-19-4-10-34-25(33)16-19/h2-4,10,16-17,20,22H,1,5-9,11-15,18H2,(H2,33,34) | PDB
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PubMed
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H3 receptor in electrically stimulated guinea pig ileum |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441643
(CHEMBL2437424)Show SMILES CC(C)Cn1c2cc(F)ccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccnc(N)c3)CC2)c1=O Show InChI InChI=1S/C28H37FN6O2/c1-19(2)17-34-25-16-22(29)3-4-24(25)35(28(34)37)23-8-13-33(14-9-23)27(36)21-6-11-32(12-7-21)18-20-5-10-31-26(30)15-20/h3-5,10,15-16,19,21,23H,6-9,11-14,17-18H2,1-2H3,(H2,30,31) | PDB
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PubMed
| n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H3 receptor in electrically stimulated guinea pig ileum |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441637
(CHEMBL2437430)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3cc(F)cc(F)c3)c2=O)ccn1 Show InChI InChI=1S/C30H31F3N6O2/c31-21-1-2-26-27(17-21)39(25-15-22(32)14-23(33)16-25)30(41)38(26)24-6-11-37(12-7-24)29(40)20-4-9-36(10-5-20)18-19-3-8-35-28(34)13-19/h1-3,8,13-17,20,24H,4-7,9-12,18H2,(H2,34,35) | PDB
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PubMed
| n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H3 receptor in electrically stimulated guinea pig ileum |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441653
(CHEMBL2437432)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3ncccn3)c2=O)ccn1 Show InChI InChI=1S/C28H31FN8O2/c29-21-2-3-23-24(17-21)37(27-32-9-1-10-33-27)28(39)36(23)22-7-14-35(15-8-22)26(38)20-5-12-34(13-6-20)18-19-4-11-31-25(30)16-19/h1-4,9-11,16-17,20,22H,5-8,12-15,18H2,(H2,30,31) | PDB
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PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H3 receptor in electrically stimulated guinea pig ileum |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441638
(CHEMBL2437429)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3ccc(F)c(F)c3)c2=O)ccn1 Show InChI InChI=1S/C30H31F3N6O2/c31-21-1-4-26-27(16-21)39(23-2-3-24(32)25(33)17-23)30(41)38(26)22-8-13-37(14-9-22)29(40)20-6-11-36(12-7-20)18-19-5-10-35-28(34)15-19/h1-5,10,15-17,20,22H,6-9,11-14,18H2,(H2,34,35) | PDB
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PubMed
| n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H3 receptor in electrically stimulated guinea pig ileum |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441639
(CHEMBL2437428)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CC3CCCCC3)c2=O)ccn1 Show InChI InChI=1S/C31H41FN6O2/c32-25-6-7-27-28(19-25)37(21-22-4-2-1-3-5-22)31(40)38(27)26-11-16-36(17-12-26)30(39)24-9-14-35(15-10-24)20-23-8-13-34-29(33)18-23/h6-8,13,18-19,22,24,26H,1-5,9-12,14-17,20-21H2,(H2,33,34) | PDB
UniProtKB/SwissProt
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H3 receptor in electrically stimulated guinea pig ileum |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM50441640
(CHEMBL2437427)Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(C3CCCC3)c2=O)ccn1 Show InChI InChI=1S/C29H37FN6O2/c30-22-5-6-25-26(18-22)36(23-3-1-2-4-23)29(38)35(25)24-10-15-34(16-11-24)28(37)21-8-13-33(14-9-21)19-20-7-12-32-27(31)17-20/h5-7,12,17-18,21,23-24H,1-4,8-11,13-16,19H2,(H2,31,32) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H3 receptor in electrically stimulated guinea pig ileum |
Bioorg Med Chem Lett 23: 6001-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F |
More data for this
Ligand-Target Pair | |
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