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6 similar compounds to monomer 50219786

Compile data set for download or QSAR
Wt: 385.3
BDBM50158732
Wt: 606.5
BDBM50219780
Wt: 626.5
BDBM50219783
Wt: 626.5
BDBM50219785
Wt: 634.6
BDBM50219787
Wt: 365.3
BDBM50219790

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50158732,50219780,50219783,50219785,50219787,50219790   
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)
BDBM50219783
PNG
(CHEMBL282494)
Show SMILES Fc1ccc2COC(=O)N(C3CCN(CC3)C(=O)c3ccc4oc(CNC(=O)Cn5cc(ccc5=O)C(F)(F)F)cc4c3)c2c1
Show InChI InChI=1S/C31H26F4N4O6/c32-22-4-1-19-17-44-30(43)39(25(19)13-22)23-7-9-37(10-8-23)29(42)18-2-5-26-20(11-18)12-24(45-26)14-36-27(40)16-38-15-21(31(33,34)35)3-6-28(38)41/h1-6,11-13,15,23H,7-10,14,16-17H2,(H,36,40)
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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)
BDBM50219785
PNG
(CHEMBL283039)
Show SMILES Fc1ccc2N(C3CCN(CC3)C(=O)c3ccc4oc(CNC(=O)Cn5cc(ccc5=O)C(F)(F)F)cc4c3)C(=O)OCc2c1
Show InChI InChI=1S/C31H26F4N4O6/c32-22-3-4-25-20(12-22)17-44-30(43)39(25)23-7-9-37(10-8-23)29(42)18-1-5-26-19(11-18)13-24(45-26)14-36-27(40)16-38-15-21(31(33,34)35)2-6-28(38)41/h1-6,11-13,15,23H,7-10,14,16-17H2,(H,36,40)
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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)
BDBM50219780
PNG
(CHEMBL287629)
Show SMILES FC(F)(F)c1ccc(=O)n(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c1
Show InChI InChI=1S/C32H29F3N4O5/c33-32(34,35)23-7-10-29(41)38(18-23)19-28(40)36-17-25-16-22-15-21(5-8-27(22)44-25)31(43)37-13-11-24(12-14-37)39-26-4-2-1-3-20(26)6-9-30(39)42/h1-5,7-8,10,15-16,18,24H,6,9,11-14,17,19H2,(H,36,40)
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25n/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)
BDBM50219787
PNG
(CHEMBL30587)
Show SMILES FC(F)(F)c1ccc(=O)n(c1)C1CCN(Cc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)CC1
Show InChI InChI=1S/C34H33F3N4O5/c35-34(36,37)25-6-8-31(42)40(19-25)26-9-13-38(14-10-26)20-28-18-24-17-22(5-7-30(24)46-28)32(43)39-15-11-27(12-16-39)41-29-4-2-1-3-23(29)21-45-33(41)44/h1-8,17-19,26-27H,9-16,20-21H2
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794n/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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158732
PNG
(5-{5-[(E)-2-Cyano-2-(5-methyl-1H-benzoimidazol-2-y...)
Show SMILES Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(o1)-c1ccc(O)c(c1)C(O)=O)C#N
Show InChI InChI=1S/C22H15N3O4/c1-12-2-5-17-18(8-12)25-21(24-17)14(11-23)9-15-4-7-20(29-15)13-3-6-19(26)16(10-13)22(27)28/h2-10,26H,1H3,(H,24,25)(H,27,28)
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
BindingDB Entry DOI: 10.7270/Q28S4PD6
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158732
PNG
(5-{5-[(E)-2-Cyano-2-(5-methyl-1H-benzoimidazol-2-y...)
Show SMILES Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(o1)-c1ccc(O)c(c1)C(O)=O)C#N
Show InChI InChI=1S/C22H15N3O4/c1-12-2-5-17-18(8-12)25-21(24-17)14(11-23)9-15-4-7-20(29-15)13-3-6-19(26)16(10-13)22(27)28/h2-10,26H,1H3,(H,24,25)(H,27,28)
PDB
MMDB

UniProtKB/TrEMBL

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PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
BindingDB Entry DOI: 10.7270/Q28S4PD6
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219790
PNG
(CHEMBL39937)
Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccccc3)nc2)cc1
Show InChI InChI=1S/C20H16FN3O3/c21-15-7-9-17(10-8-15)24-20(26)14-6-11-19(22-12-14)27-13-18(25)23-16-4-2-1-3-5-16/h1-12H,13H2,(H,23,25)(H,24,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Inhibition against GRO-alpha driven human neutrophil chemotaxis


Bioorg Med Chem Lett 12: 1517-20 (2002)


Article DOI: 10.1016/s0960-894x(02)00188-9
BindingDB Entry DOI: 10.7270/Q2JM28ZD
More data for this
Ligand-Target Pair