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BDBM50122808 3-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-oxazolidin-2-one::CHEMBL95175

SMILES: Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1

InChI Key: InChIKey=VROFQJNNYWWTGM-UHFFFAOYSA-N

Data: 11 KI

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 11 hits for monomerid = 50122808   
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
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50122808
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-i...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
Show InChI InChI=1S/C28H28FN5O2/c29-22-3-5-23(6-4-22)34-19-25(24-18-21(2-7-26(24)34)27-30-10-1-11-31-27)20-8-12-32(13-9-20)14-15-33-16-17-36-28(33)35/h1-7,10-11,18-20H,8-9,12-17H2
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0.560n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50122808
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-i...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
Show InChI InChI=1S/C28H28FN5O2/c29-22-3-5-23(6-4-22)34-19-25(24-18-21(2-7-26(24)34)27-30-10-1-11-31-27)20-8-12-32(13-9-20)14-15-33-16-17-36-28(33)35/h1-7,10-11,18-20H,8-9,12-17H2
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1.80n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50122808
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-i...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
Show InChI InChI=1S/C28H28FN5O2/c29-22-3-5-23(6-4-22)34-19-25(24-18-21(2-7-26(24)34)27-30-10-1-11-31-27)20-8-12-32(13-9-20)14-15-33-16-17-36-28(33)35/h1-7,10-11,18-20H,8-9,12-17H2
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47n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Ability to displace [3H]5-CT (2.0 nM) from HeLa cells of human 5-hydroxytryptamine 1A receptor


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50122808
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-i...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
Show InChI InChI=1S/C28H28FN5O2/c29-22-3-5-23(6-4-22)34-19-25(24-18-21(2-7-26(24)34)27-30-10-1-11-31-27)20-8-12-32(13-9-20)14-15-33-16-17-36-28(33)35/h1-7,10-11,18-20H,8-9,12-17H2
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52n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50122808
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-i...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
Show InChI InChI=1S/C28H28FN5O2/c29-22-3-5-23(6-4-22)34-19-25(24-18-21(2-7-26(24)34)27-30-10-1-11-31-27)20-8-12-32(13-9-20)14-15-33-16-17-36-28(33)35/h1-7,10-11,18-20H,8-9,12-17H2
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260n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin (0.5 nM) from rat cerebral cortex 5-hydroxytryptamine 2A receptors


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50122808
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-i...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
Show InChI InChI=1S/C28H28FN5O2/c29-22-3-5-23(6-4-22)34-19-25(24-18-21(2-7-26(24)34)27-30-10-1-11-31-27)20-8-12-32(13-9-20)14-15-33-16-17-36-28(33)35/h1-7,10-11,18-20H,8-9,12-17H2
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360n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Ability to displace [3H]5-CT (1.5 nM) from HeLa cells of human 5-hydroxytryptamine 1B receptor


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50122808
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-i...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
Show InChI InChI=1S/C28H28FN5O2/c29-22-3-5-23(6-4-22)34-19-25(24-18-21(2-7-26(24)34)27-30-10-1-11-31-27)20-8-12-32(13-9-20)14-15-33-16-17-36-28(33)35/h1-7,10-11,18-20H,8-9,12-17H2
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400n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone (0.5 nM) from rat corpus striatum dopamine D2 receptor


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50122808
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-i...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
Show InChI InChI=1S/C28H28FN5O2/c29-22-3-5-23(6-4-22)34-19-25(24-18-21(2-7-26(24)34)27-30-10-1-11-31-27)20-8-12-32(13-9-20)14-15-33-16-17-36-28(33)35/h1-7,10-11,18-20H,8-9,12-17H2
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1.80E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Ability to displace [3H]-SCH- 23390 (0.2 nM) from corpus striatum of rat Dopamine receptor D1


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50122808
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-i...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
Show InChI InChI=1S/C28H28FN5O2/c29-22-3-5-23(6-4-22)34-19-25(24-18-21(2-7-26(24)34)27-30-10-1-11-31-27)20-8-12-32(13-9-20)14-15-33-16-17-36-28(33)35/h1-7,10-11,18-20H,8-9,12-17H2
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2.80E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone (0.3 nM) from CHO cells of human Dopamine receptor D3


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50122808
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-i...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
Show InChI InChI=1S/C28H28FN5O2/c29-22-3-5-23(6-4-22)34-19-25(24-18-21(2-7-26(24)34)27-30-10-1-11-31-27)20-8-12-32(13-9-20)14-15-33-16-17-36-28(33)35/h1-7,10-11,18-20H,8-9,12-17H2
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>4.20E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Ability to displace [3H]mesulergine (0.5 nM) from CHO cells of human 5-hydroxytryptamine 2C receptor


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50122808
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-i...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
Show InChI InChI=1S/C28H28FN5O2/c29-22-3-5-23(6-4-22)34-19-25(24-18-21(2-7-26(24)34)27-30-10-1-11-31-27)20-8-12-32(13-9-20)14-15-33-16-17-36-28(33)35/h1-7,10-11,18-20H,8-9,12-17H2
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7.50E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 (0.06 nM) from human Dopamine receptor D4 expressed in CHO cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair