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BDBM50146293 5-Hydroxy-biphenyl-2-carboxylic acid [3-chloro-4-((S)-3,4,11,11a-tetrahydro-1H,5H-2-oxa-4a,10-diaza-dibenzo[a,d]cycloheptene-10-carbonyl)-phenyl]-amide::CHEMBL327242

SMILES: Oc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1

InChI Key: InChIKey=KRNFPVYITPSSLI-DEOSSOPVSA-N

Data: 4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50146293   
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 V2 receptor


(Homo sapiens (Human))
BDBM50146293
PNG
(5-Hydroxy-biphenyl-2-carboxylic acid [3-chloro-4-(...)
Show SMILES Oc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Show InChI InChI=1S/C32H28ClN3O4/c33-29-16-23(34-31(38)26-13-11-25(37)17-28(26)21-6-2-1-3-7-21)10-12-27(29)32(39)36-19-24-20-40-15-14-35(24)18-22-8-4-5-9-30(22)36/h1-13,16-17,24,37H,14-15,18-20H2,(H,34,38)/t24-/m0/s1
PDB

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CHEMBL
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Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50146293
PNG
(5-Hydroxy-biphenyl-2-carboxylic acid [3-chloro-4-(...)
Show SMILES Oc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Show InChI InChI=1S/C32H28ClN3O4/c33-29-16-23(34-31(38)26-13-11-25(37)17-28(26)21-6-2-1-3-7-21)10-12-27(29)32(39)36-19-24-20-40-15-14-35(24)18-22-8-4-5-9-30(22)36/h1-13,16-17,24,37H,14-15,18-20H2,(H,34,38)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem

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Article
PubMed
6n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50146293
PNG
(5-Hydroxy-biphenyl-2-carboxylic acid [3-chloro-4-(...)
Show SMILES Oc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Show InChI InChI=1S/C32H28ClN3O4/c33-29-16-23(34-31(38)26-13-11-25(37)17-28(26)21-6-2-1-3-7-21)10-12-27(29)32(39)36-19-24-20-40-15-14-35(24)18-22-8-4-5-9-30(22)36/h1-13,16-17,24,37H,14-15,18-20H2,(H,34,38)/t24-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50146293
PNG
(5-Hydroxy-biphenyl-2-carboxylic acid [3-chloro-4-(...)
Show SMILES Oc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Show InChI InChI=1S/C32H28ClN3O4/c33-29-16-23(34-31(38)26-13-11-25(37)17-28(26)21-6-2-1-3-7-21)10-12-27(29)32(39)36-19-24-20-40-15-14-35(24)18-22-8-4-5-9-30(22)36/h1-13,16-17,24,37H,14-15,18-20H2,(H,34,38)/t24-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced calcium mobilisation in cells expressing human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair