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Compile Data Set for Download or QSAR

Found 387 hits with Last Name = 'yi' and Initial = 'ky'   
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
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))		BDBM50201454
PNG
(CHEMBL392093 | N-(diaminomethylene)-5-(2,5-dichlor...)
Show SMILES NC(=N)NC(=O)c1oc(cc1N1CCCC1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C16H16Cl2N4O2/c17-9-3-4-11(18)10(7-9)13-8-12(22-5-1-2-6-22)14(24-13)15(23)21-16(19)20/h3-4,7-8H,1-2,5-6H2,(H4,19,20,21,23)
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n/an/a 0.480n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in PS120 cells

Bioorg Med Chem Lett 17: 1291-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.012
BindingDB Entry DOI: 10.7270/Q2MW2GS1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50340346
PNG
(2-(4-chlorophenyl)-1-{3-[4-(3-acetylaminophenyl)pi...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2c(nc3ccccc23)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C29H31ClN4O/c1-21(35)31-26-7-4-6-24(20-26)22-14-18-33(19-15-22)16-5-17-34-28-9-3-2-8-27(28)32-29(34)23-10-12-25(30)13-11-23/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,31,35)
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n/an/a 1n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled MCH from human MCH-R1 expressed in CHO by time-resolved fluorometric assay

Bioorg Med Chem Lett 21: 2309-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.099
BindingDB Entry DOI: 10.7270/Q20002DT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360858
PNG
(CHEMBL1934835)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(F)c(F)c3)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H30F2N4O2/c1-20(37)33-24-7-4-6-22(18-24)21-12-16-35(17-13-21)14-5-15-36-30(38)26-9-3-2-8-25(26)29(34-36)23-10-11-27(31)28(32)19-23/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,33,37)
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n/an/a 1n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50340362
PNG
(2-(4-chloro-2-fluorophenyl)-1-{3-[4-(3-acetylamino...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2c(nc3ccccc23)-c2ccc(Cl)cc2F)CC1
Show InChI InChI=1S/C29H30ClFN4O/c1-20(36)32-24-7-4-6-22(18-24)21-12-16-34(17-13-21)14-5-15-35-28-9-3-2-8-27(28)33-29(35)25-11-10-23(30)19-26(25)31/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,36)
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n/an/a 1n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled MCH from human MCH-R1 expressed in CHO by time-resolved fluorometric assay

Bioorg Med Chem Lett 21: 2309-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.099
BindingDB Entry DOI: 10.7270/Q20002DT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50340341
PNG
(2-phenyl-1-{3-[4-(3-acetylaminophenyl)piperidin-1-...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2c(nc3ccccc23)-c2ccccc2)CC1
Show InChI InChI=1S/C29H32N4O/c1-22(34)30-26-12-7-11-25(21-26)23-15-19-32(20-16-23)17-8-18-33-28-14-6-5-13-27(28)31-29(33)24-9-3-2-4-10-24/h2-7,9-14,21,23H,8,15-20H2,1H3,(H,30,34)
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n/an/a 2n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled MCH from human MCH-R1 expressed in CHO by time-resolved fluorometric assay

Bioorg Med Chem Lett 21: 2309-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.099
BindingDB Entry DOI: 10.7270/Q20002DT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50340349
PNG
(2-(4-trifluoromethylphenyl)-1-{3-[4-(3-acetylamino...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2c(nc3ccccc23)-c2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C30H31F3N4O/c1-21(38)34-26-7-4-6-24(20-26)22-14-18-36(19-15-22)16-5-17-37-28-9-3-2-8-27(28)35-29(37)23-10-12-25(13-11-23)30(31,32)33/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,34,38)
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n/an/a 3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled MCH from human MCH-R1 expressed in CHO by time-resolved fluorometric assay

Bioorg Med Chem Lett 21: 2309-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.099
BindingDB Entry DOI: 10.7270/Q20002DT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50340346
PNG
(2-(4-chlorophenyl)-1-{3-[4-(3-acetylaminophenyl)pi...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2c(nc3ccccc23)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C29H31ClN4O/c1-21(35)31-26-7-4-6-24(20-26)22-14-18-33(19-15-22)16-5-17-34-28-9-3-2-8-27(28)32-29(34)23-10-12-25(30)13-11-23/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,31,35)
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n/an/a 3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition hERG by patch clamp method

Bioorg Med Chem Lett 21: 2309-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.099
BindingDB Entry DOI: 10.7270/Q20002DT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50340360
PNG
(2-(2,4-dichlorophenyl)-1-{3-[4-(3-acetylaminopheny...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2c(nc3ccccc23)-c2ccc(Cl)cc2Cl)CC1
Show InChI InChI=1S/C29H30Cl2N4O/c1-20(36)32-24-7-4-6-22(18-24)21-12-16-34(17-13-21)14-5-15-35-28-9-3-2-8-27(28)33-29(35)25-11-10-23(30)19-26(25)31/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,36)
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n/an/a 3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled MCH from human MCH-R1 expressed in CHO by time-resolved fluorometric assay

Bioorg Med Chem Lett 21: 2309-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.099
BindingDB Entry DOI: 10.7270/Q20002DT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50340364
PNG
(2-(2-chloro-4-fluorophenyl)-1-{3-[4-(3-acetylamino...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2c(nc3ccccc23)-c2ccc(F)cc2Cl)CC1
Show InChI InChI=1S/C29H30ClFN4O/c1-20(36)32-24-7-4-6-22(18-24)21-12-16-34(17-13-21)14-5-15-35-28-9-3-2-8-27(28)33-29(35)25-11-10-23(31)19-26(25)30/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,36)
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n/an/a 4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled MCH from human MCH-R1 expressed in CHO by time-resolved fluorometric assay

Bioorg Med Chem Lett 21: 2309-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.099
BindingDB Entry DOI: 10.7270/Q20002DT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50340363
PNG
(2-(3,4-difluorophenyl)-1-{3-[4-(3-acetylaminopheny...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2c(nc3ccccc23)-c2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C29H30F2N4O/c1-20(36)32-24-7-4-6-22(18-24)21-12-16-34(17-13-21)14-5-15-35-28-9-3-2-8-27(28)33-29(35)23-10-11-25(30)26(31)19-23/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,36)
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n/an/a 4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled MCH from human MCH-R1 expressed in CHO by time-resolved fluorometric assay

Bioorg Med Chem Lett 21: 2309-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.099
BindingDB Entry DOI: 10.7270/Q20002DT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50340345
PNG
(2-(3-chlorophenyl)-1-{3-[4-(3-acetylaminophenyl)pi...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2c(nc3ccccc23)-c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C29H31ClN4O/c1-21(35)31-26-10-5-7-23(20-26)22-13-17-33(18-14-22)15-6-16-34-28-12-3-2-11-27(28)32-29(34)24-8-4-9-25(30)19-24/h2-5,7-12,19-20,22H,6,13-18H2,1H3,(H,31,35)
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n/an/a 5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled MCH from human MCH-R1 expressed in CHO by time-resolved fluorometric assay

Bioorg Med Chem Lett 21: 2309-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.099
BindingDB Entry DOI: 10.7270/Q20002DT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360848
PNG
(CHEMBL1934826)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H31FN4O2/c1-21(36)32-26-7-4-6-24(20-26)22-14-18-34(19-15-22)16-5-17-35-30(37)28-9-3-2-8-27(28)29(33-35)23-10-12-25(31)13-11-23/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,32,36)
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n/an/a 5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50340367
PNG
(2-(4-chlorophenyl)-1-{3-[4-(3-isobutyrylaminopheny...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(CCCn2c(nc3ccccc23)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C31H35ClN4O/c1-22(2)31(37)33-27-8-5-7-25(21-27)23-15-19-35(20-16-23)17-6-18-36-29-10-4-3-9-28(29)34-30(36)24-11-13-26(32)14-12-24/h3-5,7-14,21-23H,6,15-20H2,1-2H3,(H,33,37)
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n/an/a 5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled MCH from human MCH-R1 expressed in CHO by time-resolved fluorometric assay

Bioorg Med Chem Lett 21: 2309-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.099
BindingDB Entry DOI: 10.7270/Q20002DT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50340354
PNG
(2-(4-bromophenyl)-1-{3-[4-(3-acetylaminophenyl)pip...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2c(nc3ccccc23)-c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C29H31BrN4O/c1-21(35)31-26-7-4-6-24(20-26)22-14-18-33(19-15-22)16-5-17-34-28-9-3-2-8-27(28)32-29(34)23-10-12-25(30)13-11-23/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,31,35)
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n/an/a 5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled MCH from human MCH-R1 expressed in CHO by time-resolved fluorometric assay

Bioorg Med Chem Lett 21: 2309-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.099
BindingDB Entry DOI: 10.7270/Q20002DT
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50508365
PNG
(CHEMBL4457118)
Show SMILES Fc1ccc(cc1F)-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
Show InChI InChI=1S/C27H28ClF2N3O3/c28-21-15-18(1-4-25(21)35-20-7-9-31-10-8-20)17-32-11-13-33(14-12-32)27(34)26-6-5-24(36-26)19-2-3-22(29)23(30)16-19/h1-6,15-16,20,31H,7-14,17H2
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n/an/a 6n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labelled UT2 from recombinant human UT2 receptor expressed in HEK293 cell membranes preincubated for 10 mins followed by Eu-labell...

Bioorg Med Chem Lett 29: 577-580 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.058
BindingDB Entry DOI: 10.7270/Q2445QS4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360862
PNG
(CHEMBL1934839)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)c(F)c3)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H30ClFN4O2/c1-20(37)33-24-7-4-6-22(18-24)21-12-16-35(17-13-21)14-5-15-36-30(38)26-9-3-2-8-25(26)29(34-36)23-10-11-27(31)28(32)19-23/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,33,37)
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n/an/a 6n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360857
PNG
(CHEMBL1934834)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(F)cc3F)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H30F2N4O2/c1-20(37)33-24-7-4-6-22(18-24)21-12-16-35(17-13-21)14-5-15-36-30(38)26-9-3-2-8-25(26)29(34-36)27-11-10-23(31)19-28(27)32/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,33,37)
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n/an/a 7n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50340351
PNG
(2-(3-methoxyphenyl)-1-{3-[4-(3-acetylaminophenyl)p...)
Show SMILES COc1cccc(c1)-c1nc2ccccc2n1CCCN1CCC(CC1)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C30H34N4O2/c1-22(35)31-26-10-5-8-24(20-26)23-14-18-33(19-15-23)16-7-17-34-29-13-4-3-12-28(29)32-30(34)25-9-6-11-27(21-25)36-2/h3-6,8-13,20-21,23H,7,14-19H2,1-2H3,(H,31,35)
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n/an/a 7n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled MCH from human MCH-R1 expressed in CHO by time-resolved fluorometric assay

Bioorg Med Chem Lett 21: 2309-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.099
BindingDB Entry DOI: 10.7270/Q20002DT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50340357
PNG
(2-(4-biphenyl)-1-{3-[4-(3-acetylaminophenyl)piperi...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2c(nc3ccccc23)-c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C35H36N4O/c1-26(40)36-32-12-7-11-31(25-32)29-19-23-38(24-20-29)21-8-22-39-34-14-6-5-13-33(34)37-35(39)30-17-15-28(16-18-30)27-9-3-2-4-10-27/h2-7,9-18,25,29H,8,19-24H2,1H3,(H,36,40)
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n/an/a 8n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled MCH from human MCH-R1 expressed in CHO by time-resolved fluorometric assay

Bioorg Med Chem Lett 21: 2309-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.099
BindingDB Entry DOI: 10.7270/Q20002DT
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))		BDBM50201465
PNG
(3-amino-N-(diaminomethylene)-5-(2,5-dichlorophenyl...)
Show SMILES NC(=N)NC(=O)c1oc(cc1N)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C12H10Cl2N4O2/c13-5-1-2-7(14)6(3-5)9-4-8(15)10(20-9)11(19)18-12(16)17/h1-4H,15H2,(H4,16,17,18,19)
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n/an/a 8n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in PS120 cells

Bioorg Med Chem Lett 17: 1291-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.012
BindingDB Entry DOI: 10.7270/Q2MW2GS1
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50508375
PNG
(CHEMBL4525919)
Show SMILES Fc1cccc(c1)-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
Show InChI InChI=1S/C27H29ClFN3O3/c28-23-16-19(4-5-25(23)34-22-8-10-30-11-9-22)18-31-12-14-32(15-13-31)27(33)26-7-6-24(35-26)20-2-1-3-21(29)17-20/h1-7,16-17,22,30H,8-15,18H2
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n/an/a 9n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labelled UT2 from recombinant human UT2 receptor expressed in HEK293 cell membranes preincubated for 10 mins followed by Eu-labell...

Bioorg Med Chem Lett 29: 577-580 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.058
BindingDB Entry DOI: 10.7270/Q2445QS4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50340352
PNG
(2-(4-methoxyphenyl)-1-{3-[4-(3-acetylaminophenyl)p...)
Show SMILES COc1ccc(cc1)-c1nc2ccccc2n1CCCN1CCC(CC1)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C30H34N4O2/c1-22(35)31-26-8-5-7-25(21-26)23-15-19-33(20-16-23)17-6-18-34-29-10-4-3-9-28(29)32-30(34)24-11-13-27(36-2)14-12-24/h3-5,7-14,21,23H,6,15-20H2,1-2H3,(H,31,35)
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n/an/a 9n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled MCH from human MCH-R1 expressed in CHO by time-resolved fluorometric assay

Bioorg Med Chem Lett 21: 2309-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.099
BindingDB Entry DOI: 10.7270/Q20002DT
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))		BDBM50201443
PNG
(CHEMBL395897 | N-(diaminomethylene)-5-(2,5-dichlor...)
Show SMILES CN(C)c1cc(oc1C(=O)NC(N)=N)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C14H14Cl2N4O2/c1-20(2)10-6-11(8-5-7(15)3-4-9(8)16)22-12(10)13(21)19-14(17)18/h3-6H,1-2H3,(H4,17,18,19,21)
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n/an/a 9n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in PS120 cells

Bioorg Med Chem Lett 17: 1291-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.012
BindingDB Entry DOI: 10.7270/Q2MW2GS1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50340344
PNG
(2-(2-chlorophenyl)-1-{3-[4-(3-acetylaminophenyl)pi...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2c(nc3ccccc23)-c2ccccc2Cl)CC1
Show InChI InChI=1S/C29H31ClN4O/c1-21(35)31-24-9-6-8-23(20-24)22-14-18-33(19-15-22)16-7-17-34-28-13-5-4-12-27(28)32-29(34)25-10-2-3-11-26(25)30/h2-6,8-13,20,22H,7,14-19H2,1H3,(H,31,35)
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n/an/a 10n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled MCH from human MCH-R1 expressed in CHO by time-resolved fluorometric assay

Bioorg Med Chem Lett 21: 2309-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.099
BindingDB Entry DOI: 10.7270/Q20002DT
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))		BDBM50201470
PNG
(5-(5-chloro-2-methoxyphenyl)-N-(diaminomethylene)-...)
Show SMILES COc1ccc(Cl)cc1-c1cc(C)c(o1)C(=O)NC(N)=N
Show InChI InChI=1S/C14H14ClN3O3/c1-7-5-11(21-12(7)13(19)18-14(16)17)9-6-8(15)3-4-10(9)20-2/h3-6H,1-2H3,(H4,16,17,18,19)
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n/an/a 10n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in PS120 cells

Bioorg Med Chem Lett 17: 1291-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.012
BindingDB Entry DOI: 10.7270/Q2MW2GS1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360860
PNG
(CHEMBL1934837)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)c(Cl)c3)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H30Cl2N4O2/c1-20(37)33-24-7-4-6-22(18-24)21-12-16-35(17-13-21)14-5-15-36-30(38)26-9-3-2-8-25(26)29(34-36)23-10-11-27(31)28(32)19-23/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,33,37)
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n/an/a 12n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))		BDBM50201447
PNG
(5-(5-chloro-2-methoxyphenyl)-N-(diaminomethylene)-...)
Show SMILES COc1ccc(Cl)cc1-c1cc(N(C)C)c(o1)C(=O)NC(N)=N
Show InChI InChI=1S/C15H17ClN4O3/c1-20(2)10-7-12(23-13(10)14(21)19-15(17)18)9-6-8(16)4-5-11(9)22-3/h4-7H,1-3H3,(H4,17,18,19,21)
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n/an/a 12n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in PS120 cells

Bioorg Med Chem Lett 17: 1291-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.012
BindingDB Entry DOI: 10.7270/Q2MW2GS1
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50036148
PNG
(CHEMBL3358687)
Show SMILES OC1(Cc2ccc(F)cc2)CCN(CCNC(=O)Nc2ccnc3ccsc23)CC1
Show InChI InChI=1S/C22H25FN4O2S/c23-17-3-1-16(2-4-17)15-22(29)7-11-27(12-8-22)13-10-25-21(28)26-19-5-9-24-18-6-14-30-20(18)19/h1-6,9,14,29H,7-8,10-13,15H2,(H2,24,25,26,28)
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n/an/a 13n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of europium-labeled urotensin-II from human urotensin-2 receptor expressed in HEK293 cells by TRF assay

Bioorg Med Chem Lett 24: 5832-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.089
BindingDB Entry DOI: 10.7270/Q2H133M2
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50508362
PNG
(CHEMBL4463082)
Show SMILES CCc1ccccc1-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
Show InChI InChI=1S/C29H34ClN3O3/c1-2-22-5-3-4-6-24(22)26-9-10-28(36-26)29(34)33-17-15-32(16-18-33)20-21-7-8-27(25(30)19-21)35-23-11-13-31-14-12-23/h3-10,19,23,31H,2,11-18,20H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labelled UT2 from recombinant human UT2 receptor expressed in HEK293 cell membranes preincubated for 10 mins followed by Eu-labell...

Bioorg Med Chem Lett 29: 577-580 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.058
BindingDB Entry DOI: 10.7270/Q2445QS4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360839
PNG
(CHEMBL1934817)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3ccc(Cl)cc3c2=O)CC1
Show InChI InChI=1S/C30H30Cl2N4O2/c1-20(37)33-26-5-2-4-23(18-26)21-12-16-35(17-13-21)14-3-15-36-30(38)28-19-25(32)10-11-27(28)29(34-36)22-6-8-24(31)9-7-22/h2,4-11,18-19,21H,3,12-17H2,1H3,(H,33,37)
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n/an/a 14n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360838
PNG
(CHEMBL1934816)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3ccc(F)cc3c2=O)CC1
Show InChI InChI=1S/C30H30ClFN4O2/c1-20(37)33-26-5-2-4-23(18-26)21-12-16-35(17-13-21)14-3-15-36-30(38)28-19-25(32)10-11-27(28)29(34-36)22-6-8-24(31)9-7-22/h2,4-11,18-19,21H,3,12-17H2,1H3,(H,33,37)
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n/an/a 14n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50508352
PNG
(CHEMBL4461733)
Show SMILES FC(F)(F)c1ccccc1-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
Show InChI InChI=1S/C28H29ClF3N3O3/c29-23-17-19(5-6-25(23)37-20-9-11-33-12-10-20)18-34-13-15-35(16-14-34)27(36)26-8-7-24(38-26)21-3-1-2-4-22(21)28(30,31)32/h1-8,17,20,33H,9-16,18H2
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n/an/a 15n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labelled UT2 from recombinant human UT2 receptor expressed in HEK293 cell membranes preincubated for 10 mins followed by Eu-labell...

Bioorg Med Chem Lett 29: 577-580 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.058
BindingDB Entry DOI: 10.7270/Q2445QS4
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50508360
PNG
(CHEMBL4437224)
Show SMILES COc1cccc(c1)-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
Show InChI InChI=1S/C28H32ClN3O4/c1-34-23-4-2-3-21(18-23)25-7-8-27(36-25)28(33)32-15-13-31(14-16-32)19-20-5-6-26(24(29)17-20)35-22-9-11-30-12-10-22/h2-8,17-18,22,30H,9-16,19H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labelled UT2 from recombinant human UT2 receptor expressed in HEK293 cell membranes preincubated for 10 mins followed by Eu-labell...

Bioorg Med Chem Lett 29: 577-580 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.058
BindingDB Entry DOI: 10.7270/Q2445QS4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360840
PNG
(CHEMBL1934818)
Show SMILES COc1ccc2c(nn(CCCN3CCC(CC3)c3cccc(NC(C)=O)c3)c(=O)c2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H33ClN4O3/c1-21(37)33-26-6-3-5-24(19-26)22-13-17-35(18-14-22)15-4-16-36-31(38)29-20-27(39-2)11-12-28(29)30(34-36)23-7-9-25(32)10-8-23/h3,5-12,19-20,22H,4,13-18H2,1-2H3,(H,33,37)
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n/an/a 15n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50508363
PNG
(CHEMBL4588098)
Show SMILES Fc1cccc(-c2ccc(o2)C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)c1F
Show InChI InChI=1S/C27H28ClF2N3O3/c28-21-16-18(4-5-24(21)35-19-8-10-31-11-9-19)17-32-12-14-33(15-13-32)27(34)25-7-6-23(36-25)20-2-1-3-22(29)26(20)30/h1-7,16,19,31H,8-15,17H2
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n/an/a 15n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labelled UT2 from recombinant human UT2 receptor expressed in HEK293 cell membranes preincubated for 10 mins followed by Eu-labell...

Bioorg Med Chem Lett 29: 577-580 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.058
BindingDB Entry DOI: 10.7270/Q2445QS4
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))		BDBM50201472
PNG
(3-amino-5-(5-chloro-2-methoxyphenyl)-N-(diaminomet...)
Show SMILES COc1ccc(Cl)cc1-c1cc(N)c(o1)C(=O)NC(N)=N
Show InChI InChI=1S/C13H13ClN4O3/c1-20-9-3-2-6(14)4-7(9)10-5-8(15)11(21-10)12(19)18-13(16)17/h2-5H,15H2,1H3,(H4,16,17,18,19)
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n/an/a 15n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in PS120 cells

Bioorg Med Chem Lett 17: 1291-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.012
BindingDB Entry DOI: 10.7270/Q2MW2GS1
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50508357
PNG
(CHEMBL4581735)
Show SMILES CC(C)Oc1ccccc1-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
Show InChI InChI=1S/C30H36ClN3O4/c1-21(2)36-26-6-4-3-5-24(26)27-9-10-29(38-27)30(35)34-17-15-33(16-18-34)20-22-7-8-28(25(31)19-22)37-23-11-13-32-14-12-23/h3-10,19,21,23,32H,11-18,20H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labelled UT2 from recombinant human UT2 receptor expressed in HEK293 cell membranes preincubated for 10 mins followed by Eu-labell...

Bioorg Med Chem Lett 29: 577-580 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.058
BindingDB Entry DOI: 10.7270/Q2445QS4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50340359
PNG
(2-(4-cyanophenyl)-1-{3-[4-(3-acetylaminophenyl)pip...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2c(nc3ccccc23)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C30H31N5O/c1-22(36)32-27-7-4-6-26(20-27)24-14-18-34(19-15-24)16-5-17-35-29-9-3-2-8-28(29)33-30(35)25-12-10-23(21-31)11-13-25/h2-4,6-13,20,24H,5,14-19H2,1H3,(H,32,36)
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n/an/a 16n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled MCH from human MCH-R1 expressed in CHO by time-resolved fluorometric assay

Bioorg Med Chem Lett 21: 2309-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.099
BindingDB Entry DOI: 10.7270/Q20002DT
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))		BDBM50292303
PNG
(CHEMBL397141 | N-(diaminomethylene)-5-(2,5-dichlor...)
Show SMILES Cc1cc(oc1C(=O)NC(N)=N)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C13H11Cl2N3O2/c1-6-4-10(8-5-7(14)2-3-9(8)15)20-11(6)12(19)18-13(16)17/h2-5H,1H3,(H4,16,17,18,19)
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n/an/a 16n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in PS120 cells

Bioorg Med Chem Lett 17: 1291-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.012
BindingDB Entry DOI: 10.7270/Q2MW2GS1
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50508377
PNG
(CHEMBL4546510)
Show SMILES Cc1ccccc1-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
Show InChI InChI=1S/C28H32ClN3O3/c1-20-4-2-3-5-23(20)25-8-9-27(35-25)28(33)32-16-14-31(15-17-32)19-21-6-7-26(24(29)18-21)34-22-10-12-30-13-11-22/h2-9,18,22,30H,10-17,19H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labelled UT2 from recombinant human UT2 receptor expressed in HEK293 cell membranes preincubated for 10 mins followed by Eu-labell...

Bioorg Med Chem Lett 29: 577-580 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.058
BindingDB Entry DOI: 10.7270/Q2445QS4
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50508372
PNG
(CHEMBL4580364)
Show SMILES CCOc1ccccc1-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
Show InChI InChI=1S/C29H34ClN3O4/c1-2-35-25-6-4-3-5-23(25)26-9-10-28(37-26)29(34)33-17-15-32(16-18-33)20-21-7-8-27(24(30)19-21)36-22-11-13-31-14-12-22/h3-10,19,22,31H,2,11-18,20H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labelled UT2 from recombinant human UT2 receptor expressed in HEK293 cell membranes preincubated for 10 mins followed by Eu-labell...

Bioorg Med Chem Lett 29: 577-580 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.058
BindingDB Entry DOI: 10.7270/Q2445QS4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50340368
PNG
(2-(4-chlorophenyl)-1-{3-[4-(3-benzoylaminophenyl)p...)
Show SMILES Clc1ccc(cc1)-c1nc2ccccc2n1CCCN1CCC(CC1)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C34H33ClN4O/c35-29-16-14-26(15-17-29)33-37-31-12-4-5-13-32(31)39(33)21-7-20-38-22-18-25(19-23-38)28-10-6-11-30(24-28)36-34(40)27-8-2-1-3-9-27/h1-6,8-17,24-25H,7,18-23H2,(H,36,40)
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n/an/a 19n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled MCH from human MCH-R1 expressed in CHO by time-resolved fluorometric assay

Bioorg Med Chem Lett 21: 2309-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.099
BindingDB Entry DOI: 10.7270/Q20002DT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50430130
PNG
(CHEMBL2337724)
Show SMILES COc1cc(ccc1OCCN1CCCC1)N1Cc2ccc(Sc3ccccc3)nc2C1=O
Show InChI InChI=1S/C26H27N3O3S/c1-31-23-17-20(10-11-22(23)32-16-15-28-13-5-6-14-28)29-18-19-9-12-24(27-25(19)26(29)30)33-21-7-3-2-4-8-21/h2-4,7-12,17H,5-6,13-16,18H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay

Bioorg Med Chem Lett 23: 1736-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.053
BindingDB Entry DOI: 10.7270/Q2CF9RG9
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50508379
PNG
(CHEMBL4543925)
Show SMILES Clc1cccc(c1)-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
Show InChI InChI=1S/C27H29Cl2N3O3/c28-21-3-1-2-20(17-21)24-6-7-26(35-24)27(33)32-14-12-31(13-15-32)18-19-4-5-25(23(29)16-19)34-22-8-10-30-11-9-22/h1-7,16-17,22,30H,8-15,18H2
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labelled UT2 from recombinant human UT2 receptor expressed in HEK293 cell membranes preincubated for 10 mins followed by Eu-labell...

Bioorg Med Chem Lett 29: 577-580 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.058
BindingDB Entry DOI: 10.7270/Q2445QS4
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50036150
PNG
(CHEMBL3358685)
Show SMILES OC1(Cc2ccccc2Br)CCN(CCNC(=O)Nc2ccnc3ccsc23)CC1
Show InChI InChI=1S/C22H25BrN4O2S/c23-17-4-2-1-3-16(17)15-22(29)7-11-27(12-8-22)13-10-25-21(28)26-19-5-9-24-18-6-14-30-20(18)19/h1-6,9,14,29H,7-8,10-13,15H2,(H2,24,25,26,28)
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of europium-labeled urotensin-II from human urotensin-2 receptor expressed in HEK293 cells by TRF assay

Bioorg Med Chem Lett 24: 5832-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.089
BindingDB Entry DOI: 10.7270/Q2H133M2
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))		BDBM50036153
PNG
(CHEMBL3358682)
Show SMILES Cc1ccccc1CC1(O)CCN(CCNC(=O)Nc2ccnc3ccsc23)CC1
Show InChI InChI=1S/C23H28N4O2S/c1-17-4-2-3-5-18(17)16-23(29)8-12-27(13-9-23)14-11-25-22(28)26-20-6-10-24-19-7-15-30-21(19)20/h2-7,10,15,29H,8-9,11-14,16H2,1H3,(H2,24,25,26,28)
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of europium-labeled urotensin-II from human urotensin-2 receptor expressed in HEK293 cells by TRF assay

Bioorg Med Chem Lett 24: 5832-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.089
BindingDB Entry DOI: 10.7270/Q2H133M2
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360844
PNG
(CHEMBL1934822)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3cc(Cl)c(Cl)cc3c2=O)CC1
Show InChI InChI=1S/C30H29Cl3N4O2/c1-19(38)34-24-5-2-4-22(16-24)20-10-14-36(15-11-20)12-3-13-37-30(39)26-18-28(33)27(32)17-25(26)29(35-37)21-6-8-23(31)9-7-21/h2,4-9,16-18,20H,3,10-15H2,1H3,(H,34,38)
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360837
PNG
(CHEMBL1934815)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C30H31ClN4O2/c1-21(36)32-26-7-4-6-24(20-26)22-14-18-34(19-15-22)16-5-17-35-30(37)28-9-3-2-8-27(28)29(33-35)23-10-12-25(31)13-11-23/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,32,36)
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360842
PNG
(CHEMBL1934820)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3cc(Cl)ccc3c2=O)CC1
Show InChI InChI=1S/C30H30Cl2N4O2/c1-20(37)33-26-5-2-4-23(18-26)21-12-16-35(17-13-21)14-3-15-36-30(38)27-11-10-25(32)19-28(27)29(34-36)22-6-8-24(31)9-7-22/h2,4-11,18-19,21H,3,12-17H2,1H3,(H,33,37)
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50360843
PNG
(CHEMBL1934821)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3cc(C)ccc3c2=O)CC1
Show InChI InChI=1S/C31H33ClN4O2/c1-21-7-12-28-29(19-21)30(24-8-10-26(32)11-9-24)34-36(31(28)38)16-4-15-35-17-13-23(14-18-35)25-5-3-6-27(20-25)33-22(2)37/h3,5-12,19-20,23H,4,13-18H2,1-2H3,(H,33,37)
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 427-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.111
BindingDB Entry DOI: 10.7270/Q2F76D09
More data for this
Ligand-Target Pair
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