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2 similar compounds to monomer 50077140

Compile data set for download or QSAR
Wt: 389.4
BDBM50307113
Wt: 398.4
BDBM50307119

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50307113,50307119   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50307119
PNG
(1-Methyl-5-[3-methyl-4-(3-methyl-1H-pyrazol-1-yl)b...)
Show SMILES Cc1ccn(n1)-c1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C23H22N6O/c1-15-12-17(8-9-20(15)29-11-10-16(2)26-29)23(30)28-14-18-13-24-27(3)22(18)25-19-6-4-5-7-21(19)28/h4-13,25H,14H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/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
Oxytocin receptor


(HEK293)
BDBM50307119
PNG
(1-Methyl-5-[3-methyl-4-(3-methyl-1H-pyrazol-1-yl)b...)
Show SMILES Cc1ccn(n1)-c1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C23H22N6O/c1-15-12-17(8-9-20(15)29-11-10-16(2)26-29)23(30)28-14-18-13-24-27(3)22(18)25-19-6-4-5-7-21(19)28/h4-13,25H,14H2,1-3H3
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
27.8n/an/an/an/an/an/an/an/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 V2 receptor (V2)


(Homo sapiens (Human))
BDBM50307119
PNG
(1-Methyl-5-[3-methyl-4-(3-methyl-1H-pyrazol-1-yl)b...)
Show SMILES Cc1ccn(n1)-c1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C23H22N6O/c1-15-12-17(8-9-20(15)29-11-10-16(2)26-29)23(30)28-14-18-13-24-27(3)22(18)25-19-6-4-5-7-21(19)28/h4-13,25H,14H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
913n/an/an/an/an/an/an/an/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


(HEK293)
BDBM50307113
PNG
(CHEMBL603076 | N-{2-Methyl-4-[(1-methyl-4,10-dihyd...)
Show SMILES CC(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C22H23N5O2/c1-14-10-16(8-9-17(14)11-23-15(2)28)22(29)27-13-18-12-24-26(3)21(18)25-19-6-4-5-7-20(19)27/h4-10,12,25H,11,13H2,1-3H3,(H,23,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/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))
BDBM50307113
PNG
(CHEMBL603076 | N-{2-Methyl-4-[(1-methyl-4,10-dihyd...)
Show SMILES CC(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C22H23N5O2/c1-14-10-16(8-9-17(14)11-23-15(2)28)22(29)27-13-18-12-24-26(3)21(18)25-19-6-4-5-7-20(19)27/h4-10,12,25H,11,13H2,1-3H3,(H,23,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/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