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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 174.1
BDBM50025466Purchase		Wt: 160.1
BDBM50149208Purchase		Wt: 228.2
BDBM50152444		Wt: 214.2
BDBM50152450		Wt: 216.2
BDBM50152451
Wt: 216.2
BDBM50152408		Wt: 228.2
BDBM50152411		Wt: 216.2
BDBM50152412		Wt: 202.2
BDBM50152417		Wt: 218.2
BDBM50152421
Wt: 228.2
BDBM50152423		Wt: 226.2
BDBM50152431		Wt: 226.2
BDBM50152436		Wt: 214.2
BDBM50152438		Wt: 202.2
BDBM50152441
Displayed 1 to 15 (of 3816 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 18 hits in this display   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		BDBM50025466
PNG
(8-Methoxy-quinolin-2-ylamine | CHEMBL77072)
Show SMILES COc1cccc2ccc(N)nc12
Show InChI InChI=1S/C10H10N2O/c1-13-8-4-2-3-7-5-6-9(11)12-10(7)8/h2-6H,1H3,(H2,11,12)
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 3.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates

J Med Chem 29: 2375-80 (1986)


BindingDB Entry DOI: 10.7270/Q23N25KJ
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50149208
PNG
(2-Amino-quinolin-8-ol | CHEMBL119647)
Show SMILES Nc1ccc2cccc(O)c2n1
Show InChI InChI=1S/C9H8N2O/c10-8-5-4-6-2-1-3-7(12)9(6)11-8/h1-5,12H,(H2,10,11)
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 5.60E+4n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator

J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Neutrophil cytosol factor 1


(Homo sapiens)		BDBM50149208
PNG
(2-Amino-quinolin-8-ol | CHEMBL119647)
Show SMILES Nc1ccc2cccc(O)c2n1
Show InChI InChI=1S/C9H8N2O/c10-8-5-4-6-2-1-3-7(12)9(6)11-8/h1-5,12H,(H2,10,11)
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 1.38E+6n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cells intera...

J Med Chem 63: 1156-1177 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01492
BindingDB Entry DOI: 10.7270/Q2TQ64XB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50152412
PNG
(8-sec-Butoxy-quinolin-2-ylamine | CHEMBL186818)
Show SMILES CCC(C)Oc1cccc2ccc(N)nc12
Show InChI InChI=1S/C13H16N2O/c1-3-9(2)16-11-6-4-5-10-7-8-12(14)15-13(10)11/h4-9H,3H2,1-2H3,(H2,14,15)
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n/an/a 174n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-MCH radioligand to human melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes

Bioorg Med Chem Lett 14: 4873-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.032
BindingDB Entry DOI: 10.7270/Q2QV3KZG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50152444
PNG
(8-Cyclobutylmethoxy-quinolin-2-ylamine | CHEMBL184...)
Show SMILES Nc1ccc2cccc(OCC3CCC3)c2n1
Show InChI InChI=1S/C14H16N2O/c15-13-8-7-11-5-2-6-12(14(11)16-13)17-9-10-3-1-4-10/h2,5-8,10H,1,3-4,9H2,(H2,15,16)
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n/an/a 432n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-MCH radioligand to human melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes

Bioorg Med Chem Lett 14: 4873-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.032
BindingDB Entry DOI: 10.7270/Q2QV3KZG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50152417
PNG
(8-Isopropoxy-quinolin-2-ylamine | CHEMBL365254)
Show SMILES CC(C)Oc1cccc2ccc(N)nc12
Show InChI InChI=1S/C12H14N2O/c1-8(2)15-10-5-3-4-9-6-7-11(13)14-12(9)10/h3-8H,1-2H3,(H2,13,14)
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n/an/a 437n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-MCH radioligand to human melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes

Bioorg Med Chem Lett 14: 4873-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.032
BindingDB Entry DOI: 10.7270/Q2QV3KZG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50152408
PNG
(8-Butoxy-quinolin-2-ylamine | CHEMBL186659)
Show SMILES CCCCOc1cccc2ccc(N)nc12
Show InChI InChI=1S/C13H16N2O/c1-2-3-9-16-11-6-4-5-10-7-8-12(14)15-13(10)11/h4-8H,2-3,9H2,1H3,(H2,14,15)
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n/an/a 789n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-MCH radioligand to human melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes

Bioorg Med Chem Lett 14: 4873-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.032
BindingDB Entry DOI: 10.7270/Q2QV3KZG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50152441
PNG
(8-Propoxy-quinolin-2-ylamine | CHEMBL427153)
Show SMILES CCCOc1cccc2ccc(N)nc12
Show InChI InChI=1S/C12H14N2O/c1-2-8-15-10-5-3-4-9-6-7-11(13)14-12(9)10/h3-7H,2,8H2,1H3,(H2,13,14)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-MCH radioligand to human melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes

Bioorg Med Chem Lett 14: 4873-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.032
BindingDB Entry DOI: 10.7270/Q2QV3KZG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50025466
PNG
(8-Methoxy-quinolin-2-ylamine | CHEMBL77072)
Show SMILES COc1cccc2ccc(N)nc12
Show InChI InChI=1S/C10H10N2O/c1-13-8-4-2-3-7-5-6-9(11)12-10(7)8/h2-6H,1H3,(H2,11,12)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-MCH radioligand to human melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes

Bioorg Med Chem Lett 14: 4873-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.032
BindingDB Entry DOI: 10.7270/Q2QV3KZG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50152451
PNG
(8-Isobutoxy-quinolin-2-ylamine | CHEMBL181798)
Show SMILES CC(C)COc1cccc2ccc(N)nc12
Show InChI InChI=1S/C13H16N2O/c1-9(2)8-16-11-5-3-4-10-6-7-12(14)15-13(10)11/h3-7,9H,8H2,1-2H3,(H2,14,15)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-MCH radioligand to human melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes

Bioorg Med Chem Lett 14: 4873-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.032
BindingDB Entry DOI: 10.7270/Q2QV3KZG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50152450
PNG
(8-Cyclopropylmethoxy-quinolin-2-ylamine | CHEMBL36...)
Show SMILES Nc1ccc2cccc(OCC3CC3)c2n1
Show InChI InChI=1S/C13H14N2O/c14-12-7-6-10-2-1-3-11(13(10)15-12)16-8-9-4-5-9/h1-3,6-7,9H,4-5,8H2,(H2,14,15)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-MCH radioligand to human melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes

Bioorg Med Chem Lett 14: 4873-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.032
BindingDB Entry DOI: 10.7270/Q2QV3KZG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50149208
PNG
(2-Amino-quinolin-8-ol | CHEMBL119647)
Show SMILES Nc1ccc2cccc(O)c2n1
Show InChI InChI=1S/C9H8N2O/c10-8-5-4-6-2-1-3-7(12)9(6)11-8/h1-5,12H,(H2,10,11)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-MCH radioligand to human melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes

Bioorg Med Chem Lett 14: 4873-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.032
BindingDB Entry DOI: 10.7270/Q2QV3KZG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50152438
PNG
(8-Cyclobutoxy-quinolin-2-ylamine | CHEMBL361902)
Show SMILES Nc1ccc2cccc(OC3CCC3)c2n1
Show InChI InChI=1S/C13H14N2O/c14-12-8-7-9-3-1-6-11(13(9)15-12)16-10-4-2-5-10/h1,3,6-8,10H,2,4-5H2,(H2,14,15)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-MCH radioligand to human melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes

Bioorg Med Chem Lett 14: 4873-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.032
BindingDB Entry DOI: 10.7270/Q2QV3KZG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50152436
PNG
(8-Pent-2-ynyloxy-quinolin-2-ylamine | CHEMBL366307)
Show SMILES CCC#CCOc1cccc2ccc(N)nc12
Show InChI InChI=1S/C14H14N2O/c1-2-3-4-10-17-12-7-5-6-11-8-9-13(15)16-14(11)12/h5-9H,2,10H2,1H3,(H2,15,16)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-MCH radioligand to human melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes

Bioorg Med Chem Lett 14: 4873-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.032
BindingDB Entry DOI: 10.7270/Q2QV3KZG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50152431
PNG
(8-Pent-3-ynyloxy-quinolin-2-ylamine | CHEMBL426971)
Show SMILES CC#CCCOc1cccc2ccc(N)nc12
Show InChI InChI=1S/C14H14N2O/c1-2-3-4-10-17-12-7-5-6-11-8-9-13(15)16-14(11)12/h5-9H,4,10H2,1H3,(H2,15,16)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-MCH radioligand to human melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes

Bioorg Med Chem Lett 14: 4873-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.032
BindingDB Entry DOI: 10.7270/Q2QV3KZG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50152423
PNG
(8-Cyclopentyloxy-quinolin-2-ylamine | CHEMBL363103)
Show SMILES Nc1ccc2cccc(OC3CCCC3)c2n1
Show InChI InChI=1S/C14H16N2O/c15-13-9-8-10-4-3-7-12(14(10)16-13)17-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2,(H2,15,16)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-MCH radioligand to human melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes

Bioorg Med Chem Lett 14: 4873-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.032
BindingDB Entry DOI: 10.7270/Q2QV3KZG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50152421
PNG
(8-(2-Methoxy-ethoxy)-quinolin-2-ylamine | CHEMBL18...)
Show SMILES COCCOc1cccc2ccc(N)nc12
Show InChI InChI=1S/C12H14N2O2/c1-15-7-8-16-10-4-2-3-9-5-6-11(13)14-12(9)10/h2-6H,7-8H2,1H3,(H2,13,14)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-MCH radioligand to human melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes

Bioorg Med Chem Lett 14: 4873-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.032
BindingDB Entry DOI: 10.7270/Q2QV3KZG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50152411
PNG
(8-(3-Methyl-but-2-enyloxy)-quinolin-2-ylamine | CH...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cccc2ccc(-[#7])nc12
Show InChI InChI=1S/C14H16N2O/c1-10(2)8-9-17-12-5-3-4-11-6-7-13(15)16-14(11)12/h3-8H,9H2,1-2H3,(H2,15,16)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-MCH radioligand to human melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes

Bioorg Med Chem Lett 14: 4873-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.032
BindingDB Entry DOI: 10.7270/Q2QV3KZG
More data for this
Ligand-Target Pair