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BDBM50321863 5-Chloro-2,3-dihydro-indole-1-carboxylic acid [6-(2-methyl-pyridin-3-yloxy)-pyridin-3-yl]-amide::5-chloro-N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)indoline-1-carboxamide::CHEMBL59097

SMILES: Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)ccc23)cn1

InChI Key: InChIKey=KXFAFOLRVYUQGO-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50321863   
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50321863
PNG
(5-Chloro-2,3-dihydro-indole-1-carboxylic acid [6-(...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)ccc23)cn1
Show InChI InChI=1S/C20H17ClN4O2/c1-13-18(3-2-9-22-13)27-19-7-5-16(12-23-19)24-20(26)25-10-8-14-11-15(21)4-6-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
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Article
PubMed
6.30n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Bioorg Med Chem 18: 4783-92 (2011)


Article DOI: 10.1016/j.bmc.2010.05.017
BindingDB Entry DOI: 10.7270/Q2V69KJ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50321863
PNG
(5-Chloro-2,3-dihydro-indole-1-carboxylic acid [6-(...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)ccc23)cn1
Show InChI InChI=1S/C20H17ClN4O2/c1-13-18(3-2-9-22-13)27-19-7-5-16(12-23-19)24-20(26)25-10-8-14-11-15(21)4-6-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
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6.30n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine


Bioorg Med Chem Lett 10: 1863-6 (2000)


BindingDB Entry DOI: 10.7270/Q2X63Q4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50321863
PNG
(5-Chloro-2,3-dihydro-indole-1-carboxylic acid [6-(...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)ccc23)cn1
Show InChI InChI=1S/C20H17ClN4O2/c1-13-18(3-2-9-22-13)27-19-7-5-16(12-23-19)24-20(26)25-10-8-14-11-15(21)4-6-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
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2.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-HT2B receptor of HEK293 cells by displacement of [3H]5-HT


Bioorg Med Chem Lett 10: 1863-6 (2000)


BindingDB Entry DOI: 10.7270/Q2X63Q4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50321863
PNG
(5-Chloro-2,3-dihydro-indole-1-carboxylic acid [6-(...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)ccc23)cn1
Show InChI InChI=1S/C20H17ClN4O2/c1-13-18(3-2-9-22-13)27-19-7-5-16(12-23-19)24-20(26)25-10-8-14-11-15(21)4-6-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
PDB
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>1.00E+4n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human cloned 5HT2A receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Bioorg Med Chem 18: 4783-92 (2011)


Article DOI: 10.1016/j.bmc.2010.05.017
BindingDB Entry DOI: 10.7270/Q2V69KJ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50321863
PNG
(5-Chloro-2,3-dihydro-indole-1-carboxylic acid [6-(...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)ccc23)cn1
Show InChI InChI=1S/C20H17ClN4O2/c1-13-18(3-2-9-22-13)27-19-7-5-16(12-23-19)24-20(26)25-10-8-14-11-15(21)4-6-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
PDB
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UniChem

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2A receptor of HEK293 cells by displacement of [3H]ketanserin


Bioorg Med Chem Lett 10: 1863-6 (2000)


BindingDB Entry DOI: 10.7270/Q2X63Q4P
More data for this
Ligand-Target Pair