BDBM50342034 2-((2S)-6-amino-2-((2S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-19-hydroxy-16-(4-hydroxybenzyl)-10-isobutyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamido)hexanamido)acetic acid::CHEMBL1765669
SMILES: CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(O)=O
InChI Key: InChIKey=RCKPKSSQWGXFSM-GOCTXPOLSA-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)) | BDBM50342034 (2-((2S)-6-amino-2-((2S)-1-((4R,7S,10S,13S,16S)-7-(...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins | J Med Chem 54: 2864-77 (2011) Article DOI: 10.1021/jm1016208 BindingDB Entry DOI: 10.7270/Q23B60GJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (Homo sapiens (Human)) | BDBM50342034 (2-((2S)-6-amino-2-((2S)-1-((4R,7S,10S,13S,16S)-7-(...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 179 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins | J Med Chem 54: 2864-77 (2011) Article DOI: 10.1021/jm1016208 BindingDB Entry DOI: 10.7270/Q23B60GJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50342034 (2-((2S)-6-amino-2-((2S)-1-((4R,7S,10S,13S,16S)-7-(...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 879 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 mins | J Med Chem 54: 2864-77 (2011) Article DOI: 10.1021/jm1016208 BindingDB Entry DOI: 10.7270/Q23B60GJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50342034 (2-((2S)-6-amino-2-((2S)-1-((4R,7S,10S,13S,16S)-7-(...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins | J Med Chem 54: 2864-77 (2011) Article DOI: 10.1021/jm1016208 BindingDB Entry DOI: 10.7270/Q23B60GJ | |||||||||||
More data for this Ligand-Target Pair |