Found 88 hits with Last Name = 'lovric' and Initial = 'm' 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 H1 receptor
(Homo sapiens (Human)) | BDBM50002087
(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccsc2-[#6](=O)-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417376
(CHEMBL1278116)Show InChI InChI=1S/C21H25N/c1-22(2)19-11-12-21(15-19)14-18-9-4-3-7-16(18)13-17-8-5-6-10-20(17)21/h3-10,19H,11-15H2,1-2H3/t19?,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(RAT) | BDBM50330747
((-)-1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'...)Show SMILES OC(=O)C1CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H29NO2/c27-24(28)18-10-13-26(14-11-18)22-9-12-25(17-22)16-21-7-2-1-5-19(21)15-20-6-3-4-8-23(20)25/h1-8,18,22H,9-17H2,(H,27,28)/t22?,25-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from histamine H1 receptor in Sprague-Dawley rat cortical membrane by liquid scintillation counting |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(RAT) | BDBM50330752
(3-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...)Show SMILES OC(=O)[C@]12C[C@H]1CN(C2)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H27NO2/c27-23(28)25-13-20(25)15-26(16-25)21-9-10-24(14-21)12-19-7-2-1-5-17(19)11-18-6-3-4-8-22(18)24/h1-8,20-21H,9-16H2,(H,27,28)/t20-,21?,24-,25-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from histamine H1 receptor in Sprague-Dawley rat cortical membrane by liquid scintillation counting |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(RAT) | BDBM50330751
(1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...)Show SMILES OC(=O)C1CN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C23H25NO2/c25-22(26)19-14-24(15-19)20-9-10-23(13-20)12-18-7-2-1-5-16(18)11-17-6-3-4-8-21(17)23/h1-8,19-20H,9-15H2,(H,25,26)/t20?,23-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from histamine H1 receptor in Sprague-Dawley rat cortical membrane by liquid scintillation counting |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50330751
(1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...)Show SMILES OC(=O)C1CN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C23H25NO2/c25-22(26)19-14-24(15-19)20-9-10-23(13-20)12-18-7-2-1-5-16(18)11-17-6-3-4-8-21(17)23/h1-8,19-20H,9-15H2,(H,25,26)/t20?,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(RAT) | BDBM50330748
(1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...)Show SMILES OC(=O)C1=CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r,t:3| Show InChI InChI=1S/C25H27NO2/c27-24(28)21-9-5-13-26(17-21)22-11-12-25(16-22)15-20-8-2-1-6-18(20)14-19-7-3-4-10-23(19)25/h1-4,6-10,22H,5,11-17H2,(H,27,28)/t22?,25-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from histamine H1 receptor in Sprague-Dawley rat cortical membrane by liquid scintillation counting |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417355
(CHEMBL1278114)Show SMILES OC(=O)CCNC1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C22H25NO2/c24-21(25)10-12-23-19-9-11-22(15-19)14-18-7-2-1-5-16(18)13-17-6-3-4-8-20(17)22/h1-8,19,23H,9-15H2,(H,24,25)/t19?,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(RAT) | BDBM50330753
(1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...)Show SMILES OC(=O)C1(F)CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H28FNO2/c26-25(23(28)29)11-13-27(14-12-25)21-9-10-24(17-21)16-20-7-2-1-5-18(20)15-19-6-3-4-8-22(19)24/h1-8,21H,9-17H2,(H,28,29)/t21?,24-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from histamine H1 receptor in Sprague-Dawley rat cortical membrane by liquid scintillation counting |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417365
(CHEMBL1278202)Show SMILES CC1(CCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21)C(O)=O |r| Show InChI InChI=1S/C25H29NO2/c1-24(23(27)28)12-13-26(17-24)21-10-11-25(16-21)15-20-8-3-2-6-18(20)14-19-7-4-5-9-22(19)25/h2-9,21H,10-17H2,1H3,(H,27,28)/t21?,24?,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(RAT) | BDBM50330749
(1-(11'H-Spiro[cyclopentane-1,10'-dibenzo[b,f]oxepi...)Show SMILES OC(=O)C1CN(C1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 Show InChI InChI=1S/C22H23NO3/c24-21(25)16-13-23(14-16)17-9-10-22(12-17)11-15-5-1-3-7-19(15)26-20-8-4-2-6-18(20)22/h1-8,16-17H,9-14H2,(H,24,25) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from histamine H1 receptor in Sprague-Dawley rat cortical membrane by liquid scintillation counting |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417373
(CHEMBL1278020)Show SMILES COC(=O)C1=CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r,t:4| Show InChI InChI=1S/C26H29NO2/c1-29-25(28)22-10-6-14-27(18-22)23-12-13-26(17-23)16-21-9-3-2-7-19(21)15-20-8-4-5-11-24(20)26/h2-5,7-11,23H,6,12-18H2,1H3/t23?,26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417366
(CHEMBL1278201)Show SMILES OC(=O)C1CCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C24H27NO2/c26-23(27)20-10-12-25(16-20)21-9-11-24(15-21)14-19-7-2-1-5-17(19)13-18-6-3-4-8-22(18)24/h1-8,20-21H,9-16H2,(H,26,27)/t20?,21?,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417369
(CHEMBL1277584)Show SMILES OC(=O)[C@@H]1CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H29NO2/c27-24(28)21-9-5-13-26(17-21)22-11-12-25(16-22)15-20-8-2-1-6-18(20)14-19-7-3-4-10-23(19)25/h1-4,6-8,10,21-22H,5,9,11-17H2,(H,27,28)/t21-,22?,25+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(RAT) | BDBM50330750
(CHEMBL1277126)Show SMILES OC(=O)C1=CCN(CC1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 |t:3| Show InChI InChI=1S/C24H25NO3/c26-23(27)17-10-13-25(14-11-17)19-9-12-24(16-19)15-18-5-1-3-7-21(18)28-22-8-4-2-6-20(22)24/h1-8,10,19H,9,11-16H2,(H,26,27) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from histamine H1 receptor in Sprague-Dawley rat cortical membrane by liquid scintillation counting |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50330748
(1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...)Show SMILES OC(=O)C1=CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r,t:3| Show InChI InChI=1S/C25H27NO2/c27-24(28)21-9-5-13-26(17-21)22-11-12-25(16-22)15-20-8-2-1-6-18(20)14-19-7-3-4-10-23(19)25/h1-4,6-10,22H,5,11-17H2,(H,27,28)/t22?,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50330748
(1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...)Show SMILES OC(=O)C1=CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r,t:3| Show InChI InChI=1S/C25H27NO2/c27-24(28)21-9-5-13-26(17-21)22-11-12-25(16-22)15-20-8-2-1-6-18(20)14-19-7-3-4-10-23(19)25/h1-4,6-10,22H,5,11-17H2,(H,27,28)/t22?,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417370
(CHEMBL1277585)Show SMILES OC(=O)CC1CCN(CC1)C1CCC2(C1)Cc1ccccc1Cc1ccccc21 Show InChI InChI=1S/C26H31NO2/c28-25(29)15-19-10-13-27(14-11-19)23-9-12-26(18-23)17-22-7-2-1-5-20(22)16-21-6-3-4-8-24(21)26/h1-8,19,23H,9-18H2,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417375
(CHEMBL1278115)Show SMILES OC(=O)CCNC1CC[C@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C22H25NO2/c24-21(25)10-12-23-19-9-11-22(15-19)14-18-7-2-1-5-16(18)13-17-6-3-4-8-20(17)22/h1-8,19,23H,9-15H2,(H,24,25)/t19?,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50330752
(3-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...)Show SMILES OC(=O)[C@]12C[C@H]1CN(C2)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H27NO2/c27-23(28)25-13-20(25)15-26(16-25)21-9-10-24(14-21)12-19-7-2-1-5-17(19)11-18-6-3-4-8-22(18)24/h1-8,20-21H,9-16H2,(H,27,28)/t20-,21?,24-,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417364
(CHEMBL1276859)Show SMILES OC(=O)CC1CCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H29NO2/c27-24(28)13-18-10-12-26(17-18)22-9-11-25(16-22)15-21-7-2-1-5-19(21)14-20-6-3-4-8-23(20)25/h1-8,18,22H,9-17H2,(H,27,28)/t18?,22?,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50330753
(1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...)Show SMILES OC(=O)C1(F)CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H28FNO2/c26-25(23(28)29)11-13-27(14-12-25)21-9-10-24(17-21)16-20-7-2-1-5-18(20)15-19-6-3-4-8-22(19)24/h1-8,21H,9-17H2,(H,28,29)/t21?,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417363
(CHEMBL1276860)Show SMILES OC(=O)[C@@H]1[C@H]2CN(C[C@@H]12)C1CCC2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H27NO2/c27-24(28)23-20-14-26(15-21(20)23)19-9-10-25(13-19)12-18-7-2-1-5-16(18)11-17-6-3-4-8-22(17)25/h1-8,19-21,23H,9-15H2,(H,27,28)/t19?,20-,21+,23+,25? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417372
(CHEMBL1277854)Show SMILES OC(=O)C1=CCN(CC1)C1CCC2(C1)Cc1ccccc1Cc1ccccc21 |t:3| Show InChI InChI=1S/C25H27NO2/c27-24(28)18-10-13-26(14-11-18)22-9-12-25(17-22)16-21-7-2-1-5-19(21)15-20-6-3-4-8-23(20)25/h1-8,10,22H,9,11-17H2,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417381
(CHEMBL1277855)Show SMILES OC(=O)C1=CCCN(C1)C1CCC2(C1)Cc1cc(F)ccc1Cc1ccccc21 |t:3| Show InChI InChI=1S/C25H26FNO2/c26-21-8-7-17-12-18-4-1-2-6-23(18)25(14-20(17)13-21)10-9-22(15-25)27-11-3-5-19(16-27)24(28)29/h1-2,4-8,13,22H,3,9-12,14-16H2,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50330747
((-)-1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'...)Show SMILES OC(=O)C1CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H29NO2/c27-24(28)18-10-13-26(14-11-18)22-9-12-25(17-22)16-21-7-2-1-5-19(21)15-20-6-3-4-8-23(20)25/h1-8,18,22H,9-17H2,(H,27,28)/t22?,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50330750
(CHEMBL1277126)Show SMILES OC(=O)C1=CCN(CC1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 |t:3| Show InChI InChI=1S/C24H25NO3/c26-23(27)17-10-13-25(14-11-17)19-9-12-24(16-19)15-18-5-1-3-7-21(18)28-22-8-4-2-6-20(22)24/h1-8,10,19H,9,11-16H2,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417371
(CHEMBL1277679)Show SMILES OC(=O)C1(O)CCN(CC1)C1CCC2(C1)Cc1ccccc1Cc1ccccc21 Show InChI InChI=1S/C25H29NO3/c27-23(28)25(29)11-13-26(14-12-25)21-9-10-24(17-21)16-20-7-2-1-5-18(20)15-19-6-3-4-8-22(19)24/h1-8,21,29H,9-17H2,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417380
(CHEMBL1277769)Show SMILES CC1(CCN(CC1)C1CCC2(C1)Cc1ccccc1Cc1ccccc21)C(O)=O Show InChI InChI=1S/C26H31NO2/c1-25(24(28)29)12-14-27(15-13-25)22-10-11-26(18-22)17-21-8-3-2-6-19(21)16-20-7-4-5-9-23(20)26/h2-9,22H,10-18H2,1H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50330749
(1-(11'H-Spiro[cyclopentane-1,10'-dibenzo[b,f]oxepi...)Show SMILES OC(=O)C1CN(C1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 Show InChI InChI=1S/C22H23NO3/c24-21(25)16-13-23(14-16)17-9-10-22(12-17)11-15-5-1-3-7-19(15)26-20-8-4-2-6-18(20)22/h1-8,16-17H,9-14H2,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417382
(CHEMBL1278112)Show SMILES OC(=O)C1CN(CCO1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C24H27NO3/c26-23(27)22-16-25(11-12-28-22)20-9-10-24(15-20)14-19-7-2-1-5-17(19)13-18-6-3-4-8-21(18)24/h1-8,20,22H,9-16H2,(H,26,27)/t20?,22?,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 63.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417359
(CHEMBL1277216)Show SMILES OC(=O)C1CCN(CC1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 Show InChI InChI=1S/C24H27NO3/c26-23(27)17-10-13-25(14-11-17)19-9-12-24(16-19)15-18-5-1-3-7-21(18)28-22-8-4-2-6-20(22)24/h1-8,17,19H,9-16H2,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 79.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417378
(CHEMBL1277400)Show SMILES OC(=O)C1=CCCN(C1)C1CCC2(C1)c1ccccc1Cc1ccccc1C2=O |t:3| Show InChI InChI=1S/C25H25NO3/c27-23-21-9-3-1-6-17(21)14-18-7-2-4-10-22(18)25(23)12-11-20(15-25)26-13-5-8-19(16-26)24(28)29/h1-4,6-10,20H,5,11-16H2,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 79.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417367
(CHEMBL1278113)Show SMILES OC(=O)C1CN(CCN1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C24H28N2O2/c27-23(28)22-16-26(12-11-25-22)20-9-10-24(15-20)14-19-7-2-1-5-17(19)13-18-6-3-4-8-21(18)24/h1-8,20,22,25H,9-16H2,(H,27,28)/t20?,22?,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417360
(CHEMBL1277125)Show SMILES OC(=O)C1=CCCN(C1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 |t:3| Show InChI InChI=1S/C24H25NO3/c26-23(27)18-7-5-13-25(16-18)19-11-12-24(15-19)14-17-6-1-3-9-21(17)28-22-10-4-2-8-20(22)24/h1-4,6-10,19H,5,11-16H2,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417358
(CHEMBL1277311)Show SMILES OC(=O)[C@@H]1CCCN(C1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 |r| Show InChI InChI=1S/C24H27NO3/c26-23(27)18-7-5-13-25(16-18)19-11-12-24(15-19)14-17-6-1-3-9-21(17)28-22-10-4-2-8-20(22)24/h1-4,6,8-10,18-19H,5,7,11-16H2,(H,26,27)/t18-,19?,24?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417374
(CHEMBL1278021)Show SMILES OC(=O)C1=CCCN(C1)C1CC[C@]2(C1)Cc1ccccc1Cc1ccccc21 |r,t:3| Show InChI InChI=1S/C25H27NO2/c27-24(28)21-9-5-13-26(17-21)22-11-12-25(16-22)15-20-8-2-1-6-18(20)14-19-7-3-4-10-23(19)25/h1-4,6-10,22H,5,11-17H2,(H,27,28)/t22?,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417379
(CHEMBL1277217)Show SMILES OC(=O)C1(F)CCN(CC1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 Show InChI InChI=1S/C24H26FNO3/c25-24(22(27)28)11-13-26(14-12-24)18-9-10-23(16-18)15-17-5-1-3-7-20(17)29-21-8-4-2-6-19(21)23/h1-8,18H,9-16H2,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417361
(CHEMBL1277035)Show SMILES [#8]-[#6](=O)\[#6]=[#6]-1/[#6]-[#7](-[#6]-1)-[#6]-1-[#6]-[#6]C2([#6]-1)[#6]-c1ccccc1-[#6]-c1ccccc21 Show InChI InChI=1S/C24H25NO2/c26-23(27)11-17-15-25(16-17)21-9-10-24(14-21)13-20-7-2-1-5-18(20)12-19-6-3-4-8-22(19)24/h1-8,11,21H,9-10,12-16H2,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417356
(CHEMBL1277491)Show SMILES OC(=O)C1CCN(CC1)C1CCC2(C1)c1ccccc1Sc1ccc(F)cc1C2=O Show InChI InChI=1S/C24H24FNO3S/c25-16-5-6-20-18(13-16)22(27)24(19-3-1-2-4-21(19)30-20)10-7-17(14-24)26-11-8-15(9-12-26)23(28)29/h1-6,13,15,17H,7-12,14H2,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417377
(CHEMBL1277492)Show SMILES OC(=O)[C@@H]1CCCN(C1)C1CCC2(C1)c1ccccc1Oc1ccc(Cl)cc1C2=O |r| Show InChI InChI=1S/C24H24ClNO4/c25-16-7-8-20-18(12-16)22(27)24(19-5-1-2-6-21(19)30-20)10-9-17(13-24)26-11-3-4-15(14-26)23(28)29/h1-2,5-8,12,15,17H,3-4,9-11,13-14H2,(H,28,29)/t15-,17?,24?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417362
(CHEMBL1277034)Show SMILES OC(=O)CC1CN(C1)C1CCC2(C1)Cc1ccccc1Cc1ccccc21 Show InChI InChI=1S/C24H27NO2/c26-23(27)11-17-15-25(16-17)21-9-10-24(14-21)13-20-7-2-1-5-18(20)12-19-6-3-4-8-22(19)24/h1-8,17,21H,9-16H2,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417368
(CHEMBL1278019)Show SMILES OC(=O)C1(F)CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H28FNO2/c26-25(23(28)29)11-5-13-27(17-25)21-10-12-24(16-21)15-20-8-2-1-6-18(20)14-19-7-3-4-9-22(19)24/h1-4,6-9,21H,5,10-17H2,(H,28,29)/t21?,24-,25?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50417357
(CHEMBL1277401)Show SMILES OC(=O)C1CCN(CC1)C1CCC2(C1)c1ccccc1Oc1ccc(Cl)cc1C2=O Show InChI InChI=1S/C24H24ClNO4/c25-16-5-6-20-18(13-16)22(27)24(19-3-1-2-4-21(19)30-20)10-7-17(14-24)26-11-8-15(9-12-26)23(28)29/h1-6,13,15,17H,7-12,14H2,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50330747
((-)-1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'...)Show SMILES OC(=O)C1CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C25H29NO2/c27-24(28)18-10-13-26(14-11-18)22-9-12-25(17-22)16-21-7-2-1-5-19(21)15-20-6-3-4-8-23(20)25/h1-8,18,22H,9-17H2,(H,27,28)/t22?,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 transfected in bactosome expression system by spectrofluorometry |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50330748
(1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...)Show SMILES OC(=O)C1=CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r,t:3| Show InChI InChI=1S/C25H27NO2/c27-24(28)21-9-5-13-26(17-21)22-11-12-25(16-22)15-20-8-2-1-6-18(20)14-19-7-3-4-10-23(19)25/h1-4,6-10,22H,5,11-17H2,(H,27,28)/t22?,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 transfected in bactosome expression system by spectrofluorometry |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50330749
(1-(11'H-Spiro[cyclopentane-1,10'-dibenzo[b,f]oxepi...)Show SMILES OC(=O)C1CN(C1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 Show InChI InChI=1S/C22H23NO3/c24-21(25)16-13-23(14-16)17-9-10-22(12-17)11-15-5-1-3-7-19(15)26-20-8-4-2-6-18(20)22/h1-8,16-17H,9-14H2,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 transfected in bactosome expression system by spectrofluorometry |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50330750
(CHEMBL1277126)Show SMILES OC(=O)C1=CCN(CC1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 |t:3| Show InChI InChI=1S/C24H25NO3/c26-23(27)17-10-13-25(14-11-17)19-9-12-24(16-19)15-18-5-1-3-7-21(18)28-22-8-4-2-6-20(22)24/h1-8,10,19H,9,11-16H2,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 transfected in bactosome expression system by spectrofluorometry |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50330751
(1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...)Show SMILES OC(=O)C1CN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r| Show InChI InChI=1S/C23H25NO2/c25-22(26)19-14-24(15-19)20-9-10-23(13-20)12-18-7-2-1-5-16(18)11-17-6-3-4-8-21(17)23/h1-8,19-20H,9-15H2,(H,25,26)/t20?,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 transfected in bactosome expression system by spectrofluorometry |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this
Ligand-Target Pair | |
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