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BDBM50146302 CHEMBL328079::N-[3-Chloro-4-((S)-3,4,11,11a-tetrahydro-1H,5H-2-oxa-4a,10-diaza-dibenzo[a,d]cycloheptene-10-carbonyl)-phenyl]-5-fluoro-2-methyl-benzamide

SMILES: Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1

InChI Key: InChIKey=CVKQGSBGAGUZJD-NRFANRHFSA-N

Data: 4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50146302   
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 (V2)


(Homo sapiens (Human))
BDBM50146302
PNG
(CHEMBL328079 | N-[3-Chloro-4-((S)-3,4,11,11a-tetra...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H25ClFN3O3/c1-17-6-7-19(29)12-23(17)26(33)30-20-8-9-22(24(28)13-20)27(34)32-15-21-16-35-11-10-31(21)14-18-4-2-3-5-25(18)32/h2-9,12-13,21H,10-11,14-16H2,1H3,(H,30,33)/t21-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
2.80n/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 receptor


(Homo sapiens (Human))
BDBM50146302
PNG
(CHEMBL328079 | N-[3-Chloro-4-((S)-3,4,11,11a-tetra...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H25ClFN3O3/c1-17-6-7-19(29)12-23(17)26(33)30-20-8-9-22(24(28)13-20)27(34)32-15-21-16-35-11-10-31(21)14-18-4-2-3-5-25(18)32/h2-9,12-13,21H,10-11,14-16H2,1H3,(H,30,33)/t21-/m0/s1
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
12n/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))
BDBM50146302
PNG
(CHEMBL328079 | N-[3-Chloro-4-((S)-3,4,11,11a-tetra...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H25ClFN3O3/c1-17-6-7-19(29)12-23(17)26(33)30-20-8-9-22(24(28)13-20)27(34)32-15-21-16-35-11-10-31(21)14-18-4-2-3-5-25(18)32/h2-9,12-13,21H,10-11,14-16H2,1H3,(H,30,33)/t21-/m0/s1
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
100n/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))
BDBM50146302
PNG
(CHEMBL328079 | N-[3-Chloro-4-((S)-3,4,11,11a-tetra...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H25ClFN3O3/c1-17-6-7-19(29)12-23(17)26(33)30-20-8-9-22(24(28)13-20)27(34)32-15-21-16-35-11-10-31(21)14-18-4-2-3-5-25(18)32/h2-9,12-13,21H,10-11,14-16H2,1H3,(H,30,33)/t21-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+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