BDBM50090013 4-(3,4-Difluoro-phenyl)-6-methoxymethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid [3-(3',4',5',6'-tetrahydro-2'H-[2,4']bipyridinyl-1'-yl)-propyl]-amide::CHEMBL91125
SMILES: COCC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccccn1)c1ccc(F)c(F)c1
InChI Key: InChIKey=ZMKBCOCMXFAQDN-XMMISQBUSA-N
Data: 4 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50090013 (4-(3,4-Difluoro-phenyl)-6-methoxymethyl-2-oxo-1,2,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Evaluated for the ability to displace [125I]- HEAT from human cloned Alpha-1A adrenergic receptor stably expressed in CHO cells. | J Med Chem 43: 2703-18 (2000) BindingDB Entry DOI: 10.7270/Q2XK8DTM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50090013 (4-(3,4-Difluoro-phenyl)-6-methoxymethyl-2-oxo-1,2,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indo-Soviet Friendship College of Pharmacy (ISFCP) Curated by ChEMBL | Assay Description Displacement of [125I]L-762,459 from recombinant human alpha1a adrenergic receptor expressed in mammalian cells measured after 1 hr | Eur J Med Chem 132: 108-134 (2017) Article DOI: 10.1016/j.ejmech.2017.03.025 BindingDB Entry DOI: 10.7270/Q2X350V4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic alpha1B (Homo sapiens (Human)) | BDBM50090013 (4-(3,4-Difluoro-phenyl)-6-methoxymethyl-2-oxo-1,2,...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 235 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Evaluated for the ability to displace [125I]- HEAT from human cloned Alpha-1B adrenergic receptor stably expressed in LM cells. | J Med Chem 43: 2703-18 (2000) BindingDB Entry DOI: 10.7270/Q2XK8DTM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Homo sapiens (Human)) | BDBM50090013 (4-(3,4-Difluoro-phenyl)-6-methoxymethyl-2-oxo-1,2,...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 495 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Evaluated for the ability to displace [125I]- HEAT from human cloned Alpha-1D adrenergic receptor stably expressed in HEK cells. | J Med Chem 43: 2703-18 (2000) BindingDB Entry DOI: 10.7270/Q2XK8DTM | |||||||||||
More data for this Ligand-Target Pair |