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BDBM50114032 CHEMBL86577::{4-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxymethyl]-phenyl}-(4-methyl-piperazin-1-yl)-methanone

SMILES: CN1CCN(CC1)C(=O)c1ccc(COc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)cc1

InChI Key: InChIKey=MEDYXWWEPBZLAH-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50114032   
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))
BDBM50114032
PNG
(CHEMBL86577 | {4-[2-(3-Biphenyl-4-yl-5-methyl-[1,2...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(COc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C34H33N5O2/c1-25-35-36-33(29-18-16-28(17-19-29)27-8-4-3-5-9-27)39(25)31-10-6-7-11-32(31)41-24-26-12-14-30(15-13-26)34(40)38-22-20-37(2)21-23-38/h3-19H,20-24H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.03n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity at cloned human Vasopressin V1a receptor stably expressed in CHO cells, using [3H]-AVP as radioligand


J Med Chem 45: 2589-98 (2002)


Article DOI: 10.1021/jm010544r
BindingDB Entry DOI: 10.7270/Q2NC60H9
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50114032
PNG
(CHEMBL86577 | {4-[2-(3-Biphenyl-4-yl-5-methyl-[1,2...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(COc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C34H33N5O2/c1-25-35-36-33(29-18-16-28(17-19-29)27-8-4-3-5-9-27)39(25)31-10-6-7-11-32(31)41-24-26-12-14-30(15-13-26)34(40)38-22-20-37(2)21-23-38/h3-19H,20-24H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
62.7n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity at Vasopressin V1a receptor, performed using [3H]-AVP on rat liver


J Med Chem 45: 2589-98 (2002)


Article DOI: 10.1021/jm010544r
BindingDB Entry DOI: 10.7270/Q2NC60H9
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50114032
PNG
(CHEMBL86577 | {4-[2-(3-Biphenyl-4-yl-5-methyl-[1,2...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(COc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C34H33N5O2/c1-25-35-36-33(29-18-16-28(17-19-29)27-8-4-3-5-9-27)39(25)31-10-6-7-11-32(31)41-24-26-12-14-30(15-13-26)34(40)38-22-20-37(2)21-23-38/h3-19H,20-24H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
364n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity at Vasopressin V2 receptor, performed using [3H]-AVP on rat kidney


J Med Chem 45: 2589-98 (2002)


Article DOI: 10.1021/jm010544r
BindingDB Entry DOI: 10.7270/Q2NC60H9
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50114032
PNG
(CHEMBL86577 | {4-[2-(3-Biphenyl-4-yl-5-methyl-[1,2...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(COc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C34H33N5O2/c1-25-35-36-33(29-18-16-28(17-19-29)27-8-4-3-5-9-27)39(25)31-10-6-7-11-32(31)41-24-26-12-14-30(15-13-26)34(40)38-22-20-37(2)21-23-38/h3-19H,20-24H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
585n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity at cloned human Vasopressin V2 receptor stably expressed in CHO cells, using [3H]-AVP as radioligand


J Med Chem 45: 2589-98 (2002)


Article DOI: 10.1021/jm010544r
BindingDB Entry DOI: 10.7270/Q2NC60H9
More data for this
Ligand-Target Pair