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6 similar compounds to monomer 50219760

Compile data set for download or QSAR
Wt: 487.5
BDBM50219758
Wt: 524.6
BDBM50219759
Wt: 585.6
BDBM50219762
Wt: 590.6
BDBM50219764
Wt: 628.5
BDBM50219769
Wt: 621.6
BDBM50219771

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50219758,50219759,50219762,50219764,50219769,50219771   
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
Oxytocin receptor


(HEK293)
BDBM50219762
PNG
(CHEMBL283894)
Show SMILES CCOc1ccn(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(=O)n1
Show InChI InChI=1S/C31H31N5O7/c1-2-41-28-11-14-35(30(39)33-28)18-27(37)32-17-24-16-22-15-20(7-8-26(22)43-24)29(38)34-12-9-23(10-13-34)36-25-6-4-3-5-21(25)19-42-31(36)40/h3-8,11,14-16,23H,2,9-10,12-13,17-19H2,1H3,(H,32,37)
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219764
PNG
(CHEMBL281044)
Show SMILES O=C(Cn1ccc2ccccc2c1=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C34H30N4O6/c39-31(20-37-14-11-22-5-1-3-7-28(22)33(37)41)35-19-27-18-25-17-23(9-10-30(25)44-27)32(40)36-15-12-26(13-16-36)38-29-8-4-2-6-24(29)21-43-34(38)42/h1-11,14,17-18,26H,12-13,15-16,19-21H2,(H,35,39)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219758
PNG
(CHEMBL32187)
Show SMILES CC(=O)N1CCC[C@@H]1c1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H29N3O5/c1-18(32)30-12-4-7-24(30)26-16-21-15-19(8-9-25(21)36-26)27(33)29-13-10-22(11-14-29)31-23-6-3-2-5-20(23)17-35-28(31)34/h2-3,5-6,8-9,15-16,22,24H,4,7,10-14,17H2,1H3/t24-/m1/s1
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to displace [3H]oxytocin from human OT receptor (hOT)


Bioorg Med Chem Lett 12: 1399-404 (2002)


Article DOI: 10.1016/s0960-894x(02)00159-2
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219771
PNG
(CHEMBL281106)
Show SMILES Cn1c(CNC(=O)Cn2cc(ccc2=O)C(F)(F)F)cc2ccc(cc12)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C32H30F3N5O5/c1-37-25(16-36-28(41)18-39-17-23(32(33,34)35)8-9-29(39)42)14-20-6-7-21(15-27(20)37)30(43)38-12-10-24(11-13-38)40-26-5-3-2-4-22(26)19-45-31(40)44/h2-9,14-15,17,24H,10-13,16,18-19H2,1H3,(H,36,41)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219769
PNG
(CHEMBL286771)
Show SMILES FC(F)(F)c1ccc(=O)n(Cc2cncc(c2)-c2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1
Show InChI InChI=1S/C34H27F3N4O5/c35-34(36,37)26-6-8-31(42)40(19-26)18-21-13-25(17-38-16-21)30-15-24-14-22(5-7-29(24)46-30)32(43)39-11-9-27(10-12-39)41-28-4-2-1-3-23(28)20-45-33(41)44/h1-8,13-17,19,27H,9-12,18,20H2
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219759
PNG
(CHEMBL285012)
Show SMILES CN(CCCn1ccc2cc(ccc12)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C27H32N4O5S/c1-28(37(2,34)35)13-5-14-29-15-10-20-18-21(8-9-24(20)29)26(32)30-16-11-23(12-17-30)31-25-7-4-3-6-22(25)19-36-27(31)33/h3-4,6-10,15,18,23H,5,11-14,16-17,19H2,1-2H3
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to displace [3H]oxytocin from human OT receptor (hOT)


Bioorg Med Chem Lett 12: 1399-404 (2002)


Article DOI: 10.1016/s0960-894x(02)00159-2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50219762
PNG
(CHEMBL283894)
Show SMILES CCOc1ccn(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(=O)n1
Show InChI InChI=1S/C31H31N5O7/c1-2-41-28-11-14-35(30(39)33-28)18-27(37)32-17-24-16-22-15-20(7-8-26(22)43-24)29(38)34-12-9-23(10-13-34)36-25-6-4-3-5-21(25)19-42-31(36)40/h3-8,11,14-16,23H,2,9-10,12-13,17-19H2,1H3,(H,32,37)
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1.59E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace vasopressin from human Vasopressin V1a receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair