BDBM50145126 (2S)-2-{[(2R)-1-{[(4S,7R,10S,13R,16S)-13-benzyl-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)-5-[(diaminomethylidene)amino]pentanamide::CHEMBL268306
SMILES: CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
InChI Key: InChIKey=CYOLRNSRVHAZDY-XYFYQEOVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Vasopressin V1b receptor (Homo sapiens (Human)) | BDBM50145126 ((2S)-2-{[(2R)-1-{[(4S,7R,10S,13R,16S)-13-benzyl-7-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Ohio Curated by ChEMBL | Assay Description Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto... | J Med Chem 47: 2375-88 (2004) Article DOI: 10.1021/jm030611c BindingDB Entry DOI: 10.7270/Q2GF0V8C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50145126 ((2S)-2-{[(2R)-1-{[(4S,7R,10S,13R,16S)-13-benzyl-7-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 44.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Ohio Curated by ChEMBL | Assay Description Binding affinity against human vasopressin V1a receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto... | J Med Chem 47: 2375-88 (2004) Article DOI: 10.1021/jm030611c BindingDB Entry DOI: 10.7270/Q2GF0V8C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (Homo sapiens (Human)) | BDBM50145126 ((2S)-2-{[(2R)-1-{[(4S,7R,10S,13R,16S)-13-benzyl-7-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 211 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Ohio Curated by ChEMBL | Assay Description Binding affinity against human oxytocin receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors | J Med Chem 47: 2375-88 (2004) Article DOI: 10.1021/jm030611c BindingDB Entry DOI: 10.7270/Q2GF0V8C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50145126 ((2S)-2-{[(2R)-1-{[(4S,7R,10S,13R,16S)-13-benzyl-7-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 245 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Ohio Curated by ChEMBL | Assay Description Binding affinity against human vasopressin V2 receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptor... | J Med Chem 47: 2375-88 (2004) Article DOI: 10.1021/jm030611c BindingDB Entry DOI: 10.7270/Q2GF0V8C | |||||||||||
More data for this Ligand-Target Pair |