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BDBM50177592 (5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6-yl)-[4-(3-methyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-methanone::CHEMBL201889

SMILES: Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(c1)C(F)(F)F

InChI Key: InChIKey=FOMNYBUNFIUPHX-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 5 hits for monomerid = 50177592   
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
AVPR1A


(RAT)
BDBM50177592
PNG
((5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3N5O/c1-15-10-12-32(30-15)17-8-9-18(19(13-17)24(25,26)27)23(33)31-14-16-5-4-11-28-22(16)29-20-6-2-3-7-21(20)31/h2-13H,14H2,1H3,(H,28,29)
UniProtKB/SwissProt

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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonism of AVP-induced response at V1a receptor in isolated rat tail arteries


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))
BDBM50177592
PNG
((5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3N5O/c1-15-10-12-32(30-15)17-8-9-18(19(13-17)24(25,26)27)23(33)31-14-16-5-4-11-28-22(16)29-20-6-2-3-7-21(20)31/h2-13H,14H2,1H3,(H,28,29)
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PubMed
n/an/a 5.95E+3n/an/an/an/an/an/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 (V2)


(Homo sapiens (Human))
BDBM50177592
PNG
((5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3N5O/c1-15-10-12-32(30-15)17-8-9-18(19(13-17)24(25,26)27)23(33)31-14-16-5-4-11-28-22(16)29-20-6-2-3-7-21(20)31/h2-13H,14H2,1H3,(H,28,29)
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n/an/an/an/a 1.67n/an/an/an/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
Oxytocin receptor


(RAT)
BDBM50177592
PNG
((5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3N5O/c1-15-10-12-32(30-15)17-8-9-18(19(13-17)24(25,26)27)23(33)31-14-16-5-4-11-28-22(16)29-20-6-2-3-7-21(20)31/h2-13H,14H2,1H3,(H,28,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

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Article
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n/an/a 1.26E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonism of OT-induced response at OT receptor in rat uterine strips


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 (V2)


(Homo sapiens (Human))
BDBM50177592
PNG
((5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3N5O/c1-15-10-12-32(30-15)17-8-9-18(19(13-17)24(25,26)27)23(33)31-14-16-5-4-11-28-22(16)29-20-6-2-3-7-21(20)31/h2-13H,14H2,1H3,(H,28,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 493n/an/an/an/an/an/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