BDBM50523557 CHEMBL4583231
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
InChI Key: InChIKey=OZZSGLNQEWEJTN-QPLNMOKZSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Oxytocin receptor (Homo sapiens (Human)) | BDBM50523557 (CHEMBL4583231) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku University and Department of Pharmaceutical Sciences Curated by ChEMBL | Assay Description Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr | J Med Chem 62: 3297-3310 (2019) Article DOI: 10.1021/acs.jmedchem.8b01691 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1b receptor (Homo sapiens (Human)) | BDBM50523557 (CHEMBL4583231) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | >10 | n/a | n/a | n/a | n/a |
Tohoku University and Department of Pharmaceutical Sciences Curated by ChEMBL | Assay Description Agonist activity at recombinant human V1b receptor expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs i... | J Med Chem 62: 3297-3310 (2019) Article DOI: 10.1021/acs.jmedchem.8b01691 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (Homo sapiens (Human)) | BDBM50523557 (CHEMBL4583231) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 0.0310 | n/a | n/a | n/a | n/a |
Tohoku University and Department of Pharmaceutical Sciences Curated by ChEMBL | Assay Description Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval f... | J Med Chem 62: 3297-3310 (2019) Article DOI: 10.1021/acs.jmedchem.8b01691 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50523557 (CHEMBL4583231) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | >10 | n/a | n/a | n/a | n/a |
Tohoku University and Department of Pharmaceutical Sciences Curated by ChEMBL | Assay Description Agonist activity at recombinant human V1a receptor expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs i... | J Med Chem 62: 3297-3310 (2019) Article DOI: 10.1021/acs.jmedchem.8b01691 | |||||||||||
More data for this Ligand-Target Pair |