BDBM50250795 CHEMBL4084262
SMILES: COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
InChI Key: InChIKey=KVHHUZUNLIGTBY-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Histamine H1 receptor (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [3H]-pyrilamine from recombinant human H1 receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintil... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method | J Med Chem 60: 9905-9910 (2017) Article DOI: 10.1021/acs.jmedchem.7b01248 BindingDB Entry DOI: 10.7270/Q21838X7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [125I]IABN from recombinant human D3 receptor stably expressed in HEK293 cell membranes measured after 60 mins by scintillation count... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M2 and M5 (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M2 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting m... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [3H]N-methylspiperone from D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method relative to... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 295 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [3H]-citalopram from recombinant human SERT stably expressed in HEK cells measured after 90 mins by microbeta scintillation counting ... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 509 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [3H]-alpha-methylhistamine from human histamine H3 receptor stably expressed in HEK Flp-In cells after 90 mins by microbeta scintilla... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 and M3 (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 514 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M3 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting m... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M2 and M4 (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M4 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting m... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H2 receptor (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 596 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [125I]-Iodo-aminopotentidine from human histamine H2 receptor expressed in stable HEK cells after 90 mins by microbeta scintillation ... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine transporter (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 931 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [3H]-nisoxetine from recombinant human NET stably expressed in HEK cells measured after 90 mins by microbeta scintillation counting m... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 931 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method | J Med Chem 60: 9905-9910 (2017) Article DOI: 10.1021/acs.jmedchem.7b01248 BindingDB Entry DOI: 10.7270/Q21838X7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [3H]-Way100635 from recombinant human 5HT1A receptor transiently expressed in CHO cell membranes measured after 90 mins by microbeta ... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [3H]-rauwolscine from recombinant human alpha2C adrenergic receptor stably expressed in MDCK cells measured after 90 mins by microbet... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2B (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [3H]-LSD from recombinant human 5HT2B receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillati... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [3H]-prazosin from recombinant human alpha1B adrenergic receptor transiently expressed in HEKT cells measured after 90 mins by microb... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [3H]-prazosin from recombinant human alpha1A adrenergic receptor measured after 90 mins by microbeta scintillation counting method | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 8.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [3H]-epibatidine from recombinant human alpha3beta4 nACHR stably expressed in HEK cells measured after 90 mins by microbeta scintilla... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method | J Med Chem 60: 9905-9910 (2017) Article DOI: 10.1021/acs.jmedchem.7b01248 BindingDB Entry DOI: 10.7270/Q21838X7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [125I]IABN from recombinant human D2 long receptor stably expressed in HEK293 cell membranes measured after 60 mins by scintillation ... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Antagonist activity at recombinant human D2 receptor expressed in CHOK1 cells assessed as inhibition of quinpirole-induced beta arrestin2 recruitment... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50250795 (CHEMBL4084262) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Antagonist activity at recombinant human D3 receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta arrestin2 recruitment p... | J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 | |||||||||||
More data for this Ligand-Target Pair |