BDBM50326716 (R)-4-chloro-3-(5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxoindolin-3-yl)-N-ethyl-N-(pyridin-3-ylmethyl)benzamide hydrochloride::CHEMBL1253499
SMILES: CCN(Cc1cccnc1)C(=O)c1ccc(Cl)c(c1)[C@]1(C)C(=O)N(Cc2ccc(OC)cc2OC)c2ccc(Cl)cc12
InChI Key: InChIKey=UENRBNCNIZQNTR-XIFFEERXSA-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 (RAT) | BDBM50326716 ((R)-4-chloro-3-(5-chloro-1-(2,4-dimethoxybenzyl)-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 3.39 | n/a | n/a | n/a | n/a | n/a |
DrugMolDesign Curated by ChEMBL | Assay Description Antagonist activity at oxytocin receptor in rat uterine strips assessed as inhibition of oxytocin-induced contraction | J Med Chem 53: 6525-38 (2010) Article DOI: 10.1021/jm901812z BindingDB Entry DOI: 10.7270/Q20R9PMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50326716 ((R)-4-chloro-3-(5-chloro-1-(2,4-dimethoxybenzyl)-3...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 143 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DrugMolDesign Curated by ChEMBL | Assay Description Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in CHO cells | J Med Chem 53: 6525-38 (2010) Article DOI: 10.1021/jm901812z BindingDB Entry DOI: 10.7270/Q20R9PMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (RAT) | BDBM50326716 ((R)-4-chloro-3-(5-chloro-1-(2,4-dimethoxybenzyl)-3...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DrugMolDesign Curated by ChEMBL | Assay Description Displacement of [3H]-vasopressin from rat vasopressin V1a receptor expressed in CHO cells | J Med Chem 53: 6525-38 (2010) Article DOI: 10.1021/jm901812z BindingDB Entry DOI: 10.7270/Q20R9PMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Rattus norvegicus (Rat)) | BDBM50326716 ((R)-4-chloro-3-(5-chloro-1-(2,4-dimethoxybenzyl)-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DrugMolDesign Curated by ChEMBL | Assay Description Displacement of [3H]-vasopressin from rat vasopressin V2 receptor expressed in CHO cells | J Med Chem 53: 6525-38 (2010) Article DOI: 10.1021/jm901812z BindingDB Entry DOI: 10.7270/Q20R9PMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1b receptor (RAT) | BDBM50326716 ((R)-4-chloro-3-(5-chloro-1-(2,4-dimethoxybenzyl)-3...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DrugMolDesign Curated by ChEMBL | Assay Description Displacement of [3H]-vasopressin from rat vasopressin V1b receptor expressed in CHO cells | J Med Chem 53: 6525-38 (2010) Article DOI: 10.1021/jm901812z BindingDB Entry DOI: 10.7270/Q20R9PMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (Homo sapiens (Human)) | BDBM50326716 ((R)-4-chloro-3-(5-chloro-1-(2,4-dimethoxybenzyl)-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DrugMolDesign Curated by ChEMBL | Assay Description Displacement of [3H]-oxytocin from human oxytocin receptor expressed in CHO cells | J Med Chem 53: 6525-38 (2010) Article DOI: 10.1021/jm901812z BindingDB Entry DOI: 10.7270/Q20R9PMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (RAT) | BDBM50326716 ((R)-4-chloro-3-(5-chloro-1-(2,4-dimethoxybenzyl)-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DrugMolDesign Curated by ChEMBL | Assay Description Displacement of [3H]-oxytocin from rat oxytocin receptor expressed in CHO cells | J Med Chem 53: 6525-38 (2010) Article DOI: 10.1021/jm901812z BindingDB Entry DOI: 10.7270/Q20R9PMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50326716 ((R)-4-chloro-3-(5-chloro-1-(2,4-dimethoxybenzyl)-3...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DrugMolDesign Curated by ChEMBL | Assay Description Displacement of [3H]-vasopressin from human vasopressin V2 receptor expressed in CHO cells | J Med Chem 53: 6525-38 (2010) Article DOI: 10.1021/jm901812z BindingDB Entry DOI: 10.7270/Q20R9PMZ | |||||||||||
More data for this Ligand-Target Pair |