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7 similar compounds to monomer 50215107

Compile data set for download or QSAR
Wt: 231.2
BDBM50215089		Wt: 279.2
BDBM50215080		Wt: 424.4
BDBM50215083		Wt: 378.3
BDBM50215085		Wt: 321.4
BDBM50215095
Wt: 275.3
BDBM50215096		Wt: 500.6
BDBM50215102

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50215089,50215080,50215083,50215085,50215095,50215096,50215102   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50215089
PNG
(CHEMBL171825)
Show SMILES C1Cc2cc3CC[C@H]4NCCO[C@@H]4c3cc2O1
Show InChI InChI=1S/C14H17NO2/c1-2-12-14(17-6-4-15-12)11-8-13-10(3-5-16-13)7-9(1)11/h7-8,12,14-15H,1-6H2/t12-,14-/m1/s1
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 200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [125 I]iodosulpiride binding to human Dopamine receptor D3 expressed in CHO cell membranes

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SQ92JD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50215096
PNG
(CHEMBL170923)
Show SMILES CCCN1CCO[C@H]2[C@H]1COc1cc3CCOc3cc21
Show InChI InChI=1S/C16H21NO3/c1-2-4-17-5-7-19-16-12-9-14-11(3-6-18-14)8-15(12)20-10-13(16)17/h8-9,13,16H,2-7,10H2,1H3/t13-,16-/m1/s1
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 501n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [125 I]iodosulpiride binding to human Dopamine receptor D3 expressed in CHO cell membranes

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SQ92JD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50215089
PNG
(CHEMBL171825)
Show SMILES C1Cc2cc3CC[C@H]4NCCO[C@@H]4c3cc2O1
Show InChI InChI=1S/C14H17NO2/c1-2-12-14(17-6-4-15-12)11-8-13-10(3-5-16-13)7-9(1)11/h7-8,12,14-15H,1-6H2/t12-,14-/m1/s1
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 1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [125 I]iodosulpiride binding to human Dopamine receptor D2 expressed in CHO cell membranes

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SQ92JD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50215095
PNG
(CHEMBL355065)
Show SMILES C(N1CCO[C@H]2[C@H]1CCc1cc3CCOc3cc21)c1ccccc1
Show InChI InChI=1S/C21H23NO2/c1-2-4-15(5-3-1)14-22-9-11-24-21-18-13-20-17(8-10-23-20)12-16(18)6-7-19(21)22/h1-5,12-13,19,21H,6-11,14H2/t19-,21-/m1/s1
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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [125 I]iodosulpiride binding to human Dopamine receptor D3 expressed in CHO cell membranes

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SQ92JD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50215095
PNG
(CHEMBL355065)
Show SMILES C(N1CCO[C@H]2[C@H]1CCc1cc3CCOc3cc21)c1ccccc1
Show InChI InChI=1S/C21H23NO2/c1-2-4-15(5-3-1)14-22-9-11-24-21-18-13-20-17(8-10-23-20)12-16(18)6-7-19(21)22/h1-5,12-13,19,21H,6-11,14H2/t19-,21-/m1/s1
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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [125 I]iodosulpiride binding to human Dopamine receptor D2 expressed in CHO cell membranes

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SQ92JD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50215096
PNG
(CHEMBL170923)
Show SMILES CCCN1CCO[C@H]2[C@H]1COc1cc3CCOc3cc21
Show InChI InChI=1S/C16H21NO3/c1-2-4-17-5-7-19-16-12-9-14-11(3-6-18-14)8-15(12)20-10-13(16)17/h8-9,13,16H,2-7,10H2,1H3/t13-,16-/m1/s1
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 1.26E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [125 I]iodosulpiride binding to human Dopamine receptor D2 expressed in CHO cell membranes

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SQ92JD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha


(Homo sapiens (Human))		BDBM50215085
PNG
(CHEMBL609079)
Show SMILES Nc1nc(O)c2c(cn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)C(=O)NCCC#N
Show InChI InChI=1S/C15H18N6O6/c16-2-1-3-18-12(25)6-4-21(11-8(6)13(26)20-15(17)19-11)14-10(24)9(23)7(5-22)27-14/h4,7,9-10,14,22-24H,1,3,5H2,(H,18,25)(H3,17,19,20,26)/t7-,9-,10-,14?/m1/s1
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n/an/a>2.64E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Phosphatidylinositol 4-kinase of human epidermoid carcinoma A431 cells

Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9T96
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha


(Homo sapiens (Human))		BDBM50215083
PNG
(CHEMBL608492)
Show SMILES NC(=N)NCCCNC(=O)c1cn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)nc(O)c12
Show InChI InChI=1S/C16H24N8O6/c17-15(18)21-3-1-2-20-12(28)6-4-24(11-8(6)13(29)23-16(19)22-11)14-10(27)9(26)7(5-25)30-14/h4,7,9-10,14,25-27H,1-3,5H2,(H,20,28)(H4,17,18,21)(H3,19,22,23,29)/t7-,9-,10-,14?/m1/s1
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n/an/a 1.76E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Phosphatidylinositol 4-kinase of human epidermoid carcinoma A431 cells

Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9T96
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha


(Homo sapiens (Human))		BDBM50215080
PNG
(CHEMBL369443)
Show SMILES COC(=O)CCNC(=O)c1c[nH]c2nc(N)nc(O)c12
Show InChI InChI=1S/C11H13N5O4/c1-20-6(17)2-3-13-9(18)5-4-14-8-7(5)10(19)16-11(12)15-8/h4H,2-3H2,1H3,(H,13,18)(H4,12,14,15,16,19)
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n/an/a 1.07E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Phosphatidylinositol 4-kinase of human epidermoid carcinoma A431 cells

Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9T96
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50215102
PNG
(CHEMBL297782)
Show SMILES NC(=O)c1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C29H28N2O4S/c30-29(34)21-8-13-24-25(18-21)36-28(20-4-9-22(32)10-5-20)26(24)27(33)19-6-11-23(12-7-19)35-17-16-31-14-2-1-3-15-31/h4-13,18,32H,1-3,14-17H2,(H2,30,34)
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist effect in breast tissue was assayed by inhibition of estrogen stimulated MCF-7 cell proliferation

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ89TP
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50215102
PNG
(CHEMBL297782)
Show SMILES NC(=O)c1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C29H28N2O4S/c30-29(34)21-8-13-24-25(18-21)36-28(20-4-9-22(32)10-5-20)26(24)27(33)19-6-11-23(12-7-19)35-17-16-31-14-2-1-3-15-31/h4-13,18,32H,1-3,14-17H2,(H2,30,34)
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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonism of estrogen action in a mammary tumor cell line was assayed via inhibition of MCF-7 cell proliferation stimulated by 10 e-11 M 17-beta-est...

J Med Chem 40: 146-67 (1997)


Article DOI: 10.1021/jm9606352
BindingDB Entry DOI: 10.7270/Q2PZ5CKJ
More data for this
Ligand-Target Pair