BDBM50177593 (5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)-[2-chloro-4-(3-methyl-pyrazol-1-yl)-phenyl]-methanone::(5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(11H)-yl)(2-chloro-4-(3-methyl-1H-pyrazol-1-yl)phenyl)methanone::CHEMBL363910::VNA-932::WAY-VNA-932
SMILES: Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
InChI Key: InChIKey=JXKQHDZUZGKDGO-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Binding affinity to V2 receptor (unknown origin) | J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assay | J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR 7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells | J Med Chem 53: 1546-62 (2010) Article DOI: 10.1021/jm901084f BindingDB Entry DOI: 10.7270/Q2FX7BD4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Binding affinity to OTR receptor (unknown origin) | J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 199 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay | J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 199 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR 7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Displacement of [3H]AVP from human oxytocin receptor expressed in CHO cells | J Med Chem 53: 1546-62 (2010) Article DOI: 10.1021/jm901084f BindingDB Entry DOI: 10.7270/Q2FX7BD4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 344 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay | J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 344 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR 7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cells | J Med Chem 53: 1546-62 (2010) Article DOI: 10.1021/jm901084f BindingDB Entry DOI: 10.7270/Q2FX7BD4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 465 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Binding affinity to V1A receptor (unknown origin) | J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1b receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Binding affinity to V1B receptor (unknown origin) | J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (RAT) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Antagonist activity at OXR receptor in rat uterus | J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Agonist activity at V2 receptor (unknown origin) by cAMP accumulation assay | J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Antagonist activity at V1A receptor (unknown origin) by cAMP accumulation assay | J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | n/a | 465 | n/a | n/a | n/a | n/a |
UMR 7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Activity at human vasopressin V1a receptor expressed in CHO cells by NFAT-luciferase gene reporter assay | J Med Chem 53: 1546-62 (2010) Article DOI: 10.1021/jm901084f BindingDB Entry DOI: 10.7270/Q2FX7BD4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | n/a | 125 | n/a | n/a | n/a | n/a |
UMR 7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Activity at human oxytocin receptor expressed in CHO cells by NFAT-luciferase gene reporter assay | J Med Chem 53: 1546-62 (2010) Article DOI: 10.1021/jm901084f BindingDB Entry DOI: 10.7270/Q2FX7BD4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | n/a | 39.9 | n/a | n/a | n/a | n/a |
UMR 7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Activity at human vasopressin V2 receptor expressed in CHO cells by NFAT-luciferase gene reporter assay | J Med Chem 53: 1546-62 (2010) Article DOI: 10.1021/jm901084f BindingDB Entry DOI: 10.7270/Q2FX7BD4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Displacement of [3H]AVP from human V2 receptor transfected in LV2 cells | Bioorg Med Chem Lett 16: 954-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.107 BindingDB Entry DOI: 10.7270/Q27945GR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | n/a | 0.740 | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Binding to human V2 receptor expressed in LV2 cells by cAMP production | Bioorg Med Chem Lett 16: 954-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.107 BindingDB Entry DOI: 10.7270/Q27945GR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 778 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Displacement of [3H]AVP from human V1a receptor expressed in CHO cells | Bioorg Med Chem Lett 16: 954-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.107 BindingDB Entry DOI: 10.7270/Q27945GR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 80.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Displacement of [3H]AVP from human vasopressin V2 receptor expressed in mouse LV2 cells | Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 778 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Displacement of [3H]Manning ligand from human vasopressin V1a receptor expressed in CHO cells | Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (Homo sapiens (Human)) | BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 353 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells | Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05 | |||||||||||
More data for this Ligand-Target Pair |