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Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'wang' and Initial = 'xc'   
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170395
PNG
(Biphenyl-4-carboxylic acid [6-(3-methylamino-pyrro...)
Show SMILES CNC1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cn1
Show InChI InChI=1S/C23H24N4O/c1-24-21-13-14-27(16-21)22-12-11-20(15-25-22)26-23(28)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15,21,24H,13-14,16H2,1H3,(H,26,28)
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 2.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170411
PNG
(Biphenyl-4-carboxylic acid [4-(3-methylamino-pyrro...)
Show SMILES CNC1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H25N3O/c1-25-22-15-16-27(17-22)23-13-11-21(12-14-23)26-24(28)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,22,25H,15-17H2,1H3,(H,26,28)
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 3.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM196
PNG
(A-74704 | CHEMBL307193 | benzyl N-[(1S)-1-{[(2S,4S...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C43H52N4O7/c1-29(2)37(46-42(51)53-27-33-21-13-7-14-22-33)40(49)44-35(25-31-17-9-5-10-18-31)39(48)36(26-32-19-11-6-12-20-32)45-41(50)38(30(3)4)47-43(52)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-39,48H,25-28H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t35-,36-,37-,38-/m0/s1
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 4.5 -48.4n/an/an/an/an/a4.730



Abbott Laboratories



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...

Science 249: 527-33 (1990)


Article DOI: 10.1126/science.2200122
BindingDB Entry DOI: 10.7270/Q2QC01NV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170390
PNG
(Biphenyl-4-carboxylic acid [4-(3-dimethylamino-pyr...)
Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H27N3O/c1-27(2)24-16-17-28(18-24)23-14-12-22(13-15-23)26-25(29)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-15,24H,16-18H2,1-2H3,(H,26,29)
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 5.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170413
PNG
(Biphenyl-4-carboxylic acid {4-[3-(cyclopropylmethy...)
Show SMILES CN(CC1CC1)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C28H31N3O/c1-30(19-21-7-8-21)27-17-18-31(20-27)26-15-13-25(14-16-26)29-28(32)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-6,9-16,21,27H,7-8,17-20H2,1H3,(H,29,32)
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 5.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Insulin-like growth factor-binding protein 5


(Homo sapiens (Human))		BDBM50106431
PNG
(1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
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 5.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to displace Insulin-Like Growth Factor (IGF-I) from its binding to Insulin-like growth factor binding protein 5 (IGFBP-5)

Bioorg Med Chem Lett 13: 1931-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD1138
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170400
PNG
(Biphenyl-4-carboxylic acid {4-[3-(ethyl-methyl-ami...)
Show SMILES CCN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H29N3O/c1-3-28(2)25-17-18-29(19-25)24-15-13-23(14-16-24)27-26(30)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16,25H,3,17-19H2,1-2H3,(H,27,30)
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 5.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Insulin-like growth factor-binding protein 5


(Homo sapiens (Human))		BDBM50106443
PNG
(1-(3,4-Dihydroxy-benzyl)-6,7-dihydroxy-isoquinolin...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(Cc2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C17H13NO6/c19-13-2-1-8(4-14(13)20)3-11-10-7-16(22)15(21)6-9(10)5-12(18-11)17(23)24/h1-2,4-7,19-22H,3H2,(H,23,24)
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 7.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to displace Insulin-Like Growth Factor (IGF-I) from its binding to Insulin-like growth factor binding protein 5 (IGFBP-5)

Bioorg Med Chem Lett 13: 1931-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD1138
More data for this
Ligand-Target Pair
Insulin-like growth factor-binding protein 3


(Homo sapiens (Human))		BDBM50128459
PNG
(4-(3,4-Dihydroxy-benzyl)-6,7-dihydroxy-quinoline-2...)
Show SMILES OC(=O)c1cc(Cc2ccc(O)c(O)c2)c2cc(O)c(O)cc2n1
Show InChI InChI=1S/C17H13NO6/c19-13-2-1-8(4-14(13)20)3-9-5-12(17(23)24)18-11-7-16(22)15(21)6-10(9)11/h1-2,4-7,19-22H,3H2,(H,23,24)
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 8n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to displace Insulin-Like Growth Factor (IGF-I) from its binding to Insulin-like growth factor binding protein 3 (IGFBP-3)

Bioorg Med Chem Lett 13: 1931-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD1138
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170404
PNG
(Biphenyl-4-carboxylic acid (4-{3-[methyl-(3-phenyl...)
Show SMILES CN(CCCc1ccccc1)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C33H35N3O/c1-35(23-8-11-26-9-4-2-5-10-26)32-22-24-36(25-32)31-20-18-30(19-21-31)34-33(37)29-16-14-28(15-17-29)27-12-6-3-7-13-27/h2-7,9-10,12-21,32H,8,11,22-25H2,1H3,(H,34,37)
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 8.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170401
PNG
(4-(4-Chloro-phenyl)-cyclohexanecarboxylic acid [4-...)
Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)C2CCC(CC2)c2ccc(Cl)cc2)cc1 |(10.24,-3.22,;10.39,-1.69,;11.79,-1.05,;9.13,-.79,;9.12,.75,;7.65,1.21,;6.77,-.05,;7.68,-1.28,;5.23,-.05,;4.44,1.28,;2.9,1.25,;2.13,-.08,;.59,-.09,;-.18,1.24,;.59,2.58,;-1.72,1.24,;-2.49,-.1,;-4.03,-.1,;-4.8,1.23,;-4.03,2.57,;-2.49,2.57,;-6.34,1.23,;-7.11,-.1,;-8.63,-.12,;-9.42,1.23,;-10.96,1.23,;-8.65,2.56,;-7.11,2.56,;2.92,-1.41,;4.46,-1.41,)|
Show InChI InChI=1S/C25H32ClN3O/c1-28(2)24-15-16-29(17-24)23-13-11-22(12-14-23)27-25(30)20-5-3-18(4-6-20)19-7-9-21(26)10-8-19/h7-14,18,20,24H,3-6,15-17H2,1-2H3,(H,27,30)
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 12n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170406
PNG
(5-(4-Chloro-phenyl)-5-oxo-pentanoic acid [4-(3-dim...)
Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)CCCC(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H28ClN3O2/c1-26(2)21-14-15-27(16-21)20-12-10-19(11-13-20)25-23(29)5-3-4-22(28)17-6-8-18(24)9-7-17/h6-13,21H,3-5,14-16H2,1-2H3,(H,25,29)
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 13n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Insulin-like growth factor-binding protein 5


(Homo sapiens (Human))		BDBM50128459
PNG
(4-(3,4-Dihydroxy-benzyl)-6,7-dihydroxy-quinoline-2...)
Show SMILES OC(=O)c1cc(Cc2ccc(O)c(O)c2)c2cc(O)c(O)cc2n1
Show InChI InChI=1S/C17H13NO6/c19-13-2-1-8(4-14(13)20)3-9-5-12(17(23)24)18-11-7-16(22)15(21)6-10(9)11/h1-2,4-7,19-22H,3H2,(H,23,24)
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 13n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to displace Insulin-Like Growth Factor (IGF-I) from its binding to Insulin-like growth factor binding protein 5 (IGFBP-5)

Bioorg Med Chem Lett 13: 1931-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD1138
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170402
PNG
(4-Phenyl-cyclohexanecarboxylic acid [4-(3-dimethyl...)
Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)C2CCC(CC2)c2ccccc2)cc1 |(10.24,-3.22,;10.39,-1.69,;11.79,-1.05,;9.13,-.79,;9.12,.75,;7.65,1.21,;6.77,-.05,;7.68,-1.28,;5.23,-.05,;4.46,-1.41,;2.92,-1.41,;2.13,-.08,;.59,-.09,;-.18,1.24,;.59,2.58,;-1.72,1.24,;-2.49,2.57,;-4.03,2.57,;-4.8,1.23,;-4.03,-.1,;-2.49,-.1,;-6.34,1.23,;-7.11,-.1,;-8.63,-.12,;-9.42,1.23,;-8.65,2.56,;-7.11,2.56,;2.9,1.25,;4.44,1.28,)|
Show InChI InChI=1S/C25H33N3O/c1-27(2)24-16-17-28(18-24)23-14-12-22(13-15-23)26-25(29)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-7,12-15,20-21,24H,8-11,16-18H2,1-2H3,(H,26,29)
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 14n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170408
PNG
(CHEMBL178250 | N-[4-(3-Dimethylamino-pyrrolidin-1-...)
Show SMILES COc1ccc(cc1)-c1ccc(cn1)C(=O)Nc1ccc(cc1)N1CCC(C1)N(C)C
Show InChI InChI=1S/C25H28N4O2/c1-28(2)22-14-15-29(17-22)21-9-7-20(8-10-21)27-25(30)19-6-13-24(26-16-19)18-4-11-23(31-3)12-5-18/h4-13,16,22H,14-15,17H2,1-3H3,(H,27,30)
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 16n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170415
PNG
(Biphenyl-4-carboxylic acid {4-[3-(benzyl-methyl-am...)
Show SMILES CN(Cc1ccccc1)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C31H31N3O/c1-33(22-24-8-4-2-5-9-24)30-20-21-34(23-30)29-18-16-28(17-19-29)32-31(35)27-14-12-26(13-15-27)25-10-6-3-7-11-25/h2-19,30H,20-23H2,1H3,(H,32,35)
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 31n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170407
PNG
(CHEMBL178864 | N-[4-(3-Dimethylamino-pyrrolidin-1-...)
Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2cccs2)cc1
Show InChI InChI=1S/C23H25N3OS/c1-25(2)21-13-14-26(16-21)20-11-9-19(10-12-20)24-23(27)18-7-5-17(6-8-18)22-4-3-15-28-22/h3-12,15,21H,13-14,16H2,1-2H3,(H,24,27)
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 34n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170399
PNG
(1-[4-(3-Dimethylamino-pyrrolidin-1-yl)-phenyl]-3-(...)
Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C22H30N4O/c1-25(2)21-14-16-26(17-21)20-12-10-19(11-13-20)24-22(27)23-15-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,21H,6,9,14-17H2,1-2H3,(H2,23,24,27)
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 43n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Insulin-like growth factor-binding protein 5


(Homo sapiens (Human))		BDBM50128462
PNG
(7-Amino-4-(3,4-dihydroxy-benzyl)-6-hydroxy-quinoli...)
Show SMILES Nc1cc2nc(cc(Cc3ccc(O)c(O)c3)c2cc1O)C(O)=O
Show InChI InChI=1S/C17H14N2O5/c18-11-7-12-10(6-15(11)21)9(5-13(19-12)17(23)24)3-8-1-2-14(20)16(22)4-8/h1-2,4-7,20-22H,3,18H2,(H,23,24)
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 52n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to displace Insulin-Like Growth Factor (IGF-I) from its binding to Insulin-like growth factor binding protein 5 (IGFBP-5)

Bioorg Med Chem Lett 13: 1931-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD1138
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170405
PNG
(1-[4-(3-Dimethylamino-pyrrolidin-1-yl)-phenyl]-3-[...)
Show SMILES COc1ccc(CCCNC(=O)Nc2ccc(cc2)N2CCC(C2)N(C)C)cc1
Show InChI InChI=1S/C23H32N4O2/c1-26(2)21-14-16-27(17-21)20-10-8-19(9-11-20)25-23(28)24-15-4-5-18-6-12-22(29-3)13-7-18/h6-13,21H,4-5,14-17H2,1-3H3,(H2,24,25,28)
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 52n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Insulin-like growth factor-binding protein 5


(Homo sapiens (Human))		BDBM50128461
PNG
(4-(3,4-Dihydroxy-benzyl)-7-fluoro-6-hydroxy-quinol...)
Show SMILES OC(=O)c1cc(Cc2ccc(O)c(O)c2)c2cc(O)c(F)cc2n1
Show InChI InChI=1S/C17H12FNO5/c18-11-7-12-10(6-15(11)21)9(5-13(19-12)17(23)24)3-8-1-2-14(20)16(22)4-8/h1-2,4-7,20-22H,3H2,(H,23,24)
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 53n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to displace Insulin-Like Growth Factor (IGF-I) from its binding to Insulin-like growth factor binding protein 5 (IGFBP-5)

Bioorg Med Chem Lett 13: 1931-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD1138
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170395
PNG
(Biphenyl-4-carboxylic acid [6-(3-methylamino-pyrro...)
Show SMILES CNC1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cn1
Show InChI InChI=1S/C23H24N4O/c1-24-21-13-14-27(16-21)22-12-11-20(15-25-22)26-23(28)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15,21,24H,13-14,16H2,1H3,(H,26,28)
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 61n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human MCH-R1 by GTPgammaS assay

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170412
PNG
(CHEMBL179345 | N-[4-(3-Dimethylamino-pyrrolidin-1-...)
Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc(nc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H26N4O/c1-27(2)22-14-15-28(17-22)21-11-9-20(10-12-21)26-24(29)19-8-13-23(25-16-19)18-6-4-3-5-7-18/h3-13,16,22H,14-15,17H2,1-2H3,(H,26,29)
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 110n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Insulin-like growth factor-binding protein 5


(Homo sapiens (Human))		BDBM50128458
PNG
(4-(3,4-Dihydroxy-benzyl)-6-hydroxy-quinoline-2,7-d...)
Show SMILES OC(=O)c1cc(Cc2ccc(O)c(O)c2)c2cc(O)c(cc2n1)C(O)=O
Show InChI InChI=1S/C18H13NO7/c20-14-2-1-8(4-16(14)22)3-9-5-13(18(25)26)19-12-6-11(17(23)24)15(21)7-10(9)12/h1-2,4-7,20-22H,3H2,(H,23,24)(H,25,26)
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 110n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to displace Insulin-Like Growth Factor (IGF-I) from its binding to Insulin-like growth factor binding protein 5 (IGFBP-5)

Bioorg Med Chem Lett 13: 1931-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD1138
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170395
PNG
(Biphenyl-4-carboxylic acid [6-(3-methylamino-pyrro...)
Show SMILES CNC1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cn1
Show InChI InChI=1S/C23H24N4O/c1-24-21-13-14-27(16-21)22-12-11-20(15-25-22)26-23(28)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15,21,24H,13-14,16H2,1H3,(H,26,28)
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 122n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human MCH-R1-stimulated [Ca2+] influx

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170393
PNG
(Biphenyl-4-carboxylic acid {4-[3-(methyl-pyridin-2...)
Show SMILES CN(Cc1ccccn1)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C30H30N4O/c1-33(21-27-9-5-6-19-31-27)29-18-20-34(22-29)28-16-14-26(15-17-28)32-30(35)25-12-10-24(11-13-25)23-7-3-2-4-8-23/h2-17,19,29H,18,20-22H2,1H3,(H,32,35)
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 130n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Insulin-like growth factor-binding protein 5


(Homo sapiens (Human))		BDBM50128456
PNG
(7-Chloro-4-(3,4-dihydroxy-benzyl)-6-hydroxy-quinol...)
Show SMILES OC(=O)c1cc(Cc2ccc(O)c(O)c2)c2cc(O)c(Cl)cc2n1
Show InChI InChI=1S/C17H12ClNO5/c18-11-7-12-10(6-15(11)21)9(5-13(19-12)17(23)24)3-8-1-2-14(20)16(22)4-8/h1-2,4-7,20-22H,3H2,(H,23,24)
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 240n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to displace Insulin-Like Growth Factor (IGF-I) from its binding to Insulin-like growth factor binding protein 5 (IGFBP-5)

Bioorg Med Chem Lett 13: 1931-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD1138
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170409
PNG
(5-Oxo-5-phenyl-pentanoic acid [4-(3-dimethylamino-...)
Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)CCCC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H29N3O2/c1-25(2)21-15-16-26(17-21)20-13-11-19(12-14-20)24-23(28)10-6-9-22(27)18-7-4-3-5-8-18/h3-5,7-8,11-14,21H,6,9-10,15-17H2,1-2H3,(H,24,28)
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 250n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170416
PNG
(3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-5'-carboxy...)
Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc(nc2)N2CCCCC2)cc1
Show InChI InChI=1S/C23H31N5O/c1-26(2)21-12-15-28(17-21)20-9-7-19(8-10-20)25-23(29)18-6-11-22(24-16-18)27-13-4-3-5-14-27/h6-11,16,21H,3-5,12-15,17H2,1-2H3,(H,25,29)
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 2.40E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170392
PNG
(Biphenyl-4-carboxylic acid {4-[3-(acetyl-methyl-am...)
Show SMILES CN(C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1)C(C)=O
Show InChI InChI=1S/C26H27N3O2/c1-19(30)28(2)25-16-17-29(18-25)24-14-12-23(13-15-24)27-26(31)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-15,25H,16-18H2,1-2H3,(H,27,31)
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 3.00E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170410
PNG
(2-Biphenyl-4-yl-N-[4-(3-dimethylamino-pyrrolidin-1...)
Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H29N3O/c1-28(2)25-16-17-29(19-25)24-14-12-23(13-15-24)27-26(30)18-20-8-10-22(11-9-20)21-6-4-3-5-7-21/h3-15,25H,16-19H2,1-2H3,(H,27,30)
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 4.30E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Insulin-like growth factor-binding protein 5


(Homo sapiens (Human))		BDBM50128457
PNG
(7-Amino-4-(3,4-dihydroxy-benzyl)-6-methoxy-quinoli...)
Show SMILES COc1cc2c(Cc3ccc(O)c(O)c3)cc(nc2cc1N)C(O)=O
Show InChI InChI=1S/C18H16N2O5/c1-25-17-7-11-10(4-9-2-3-15(21)16(22)5-9)6-14(18(23)24)20-13(11)8-12(17)19/h2-3,5-8,21-22H,4,19H2,1H3,(H,23,24)
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 5.30E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to displace Insulin-Like Growth Factor (IGF-I) from its binding to Insulin-like growth factor binding protein 5 (IGFBP-5)

Bioorg Med Chem Lett 13: 1931-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD1138
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170414
PNG
(CHEMBL178731 | N-[4-(3-Dimethylamino-pyrrolidin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(cn1)C(=O)Nc1ccc(cc1)N1CCC(C1)N(C)C
Show InChI InChI=1S/C24H34N6O/c1-4-28-13-15-29(16-14-28)23-10-5-19(17-25-23)24(31)26-20-6-8-21(9-7-20)30-12-11-22(18-30)27(2)3/h5-10,17,22H,4,11-16,18H2,1-3H3,(H,26,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170403
PNG
(9-Oxo-9H-fluorene-2-carboxylic acid [4-(3-dimethyl...)
Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc3-c4ccccc4C(=O)c3c2)cc1
Show InChI InChI=1S/C26H25N3O2/c1-28(2)20-13-14-29(16-20)19-10-8-18(9-11-19)27-26(31)17-7-12-22-21-5-3-4-6-23(21)25(30)24(22)15-17/h3-12,15,20H,13-14,16H2,1-2H3,(H,27,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170398
PNG
((1-{4-[(Biphenyl-4-carbonyl)-amino]-phenyl}-pyrrol...)
Show SMILES CN(C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C29H33N3O3/c1-29(2,3)35-28(34)31(4)26-18-19-32(20-26)25-16-14-24(15-17-25)30-27(33)23-12-10-22(11-13-23)21-8-6-5-7-9-21/h5-17,26H,18-20H2,1-4H3,(H,30,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170397
PNG
(CHEMBL359707 | N-[4-(3-Dimethylamino-pyrrolidin-1-...)
Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2cnco2)cc1
Show InChI InChI=1S/C22H24N4O2/c1-25(2)20-11-12-26(14-20)19-9-7-18(8-10-19)24-22(27)17-5-3-16(4-6-17)21-13-23-15-28-21/h3-10,13,15,20H,11-12,14H2,1-2H3,(H,24,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170394
PNG
(CHEMBL179870 | N-[4-(3-Dimethylamino-pyrrolidin-1-...)
Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C25H27N3O2/c1-27(2)22-16-17-28(18-22)21-12-10-20(11-13-21)26-25(29)19-8-14-24(15-9-19)30-23-6-4-3-5-7-23/h3-15,22H,16-18H2,1-2H3,(H,26,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170391
PNG
(3-Phenyl-propynoic acid [4-(3-dimethylamino-pyrrol...)
Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)C#Cc2ccccc2)cc1
Show InChI InChI=1S/C21H23N3O/c1-23(2)20-14-15-24(16-20)19-11-9-18(10-12-19)22-21(25)13-8-17-6-4-3-5-7-17/h3-7,9-12,20H,14-16H2,1-2H3,(H,22,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Insulin-like growth factor-binding protein 5


(Homo sapiens (Human))		BDBM50128460
PNG
(4-(3,4-Dihydroxy-benzyl)-quinoline-2,6-dicarboxyli...)
Show SMILES OC(=O)c1ccc2nc(cc(Cc3ccc(O)c(O)c3)c2c1)C(O)=O
Show InChI InChI=1S/C18H13NO6/c20-15-4-1-9(6-16(15)21)5-11-8-14(18(24)25)19-13-3-2-10(17(22)23)7-12(11)13/h1-4,6-8,20-21H,5H2,(H,22,23)(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to displace Insulin-Like Growth Factor (IGF-I) from its binding to Insulin-like growth factor binding protein 5 (IGFBP-5)

Bioorg Med Chem Lett 13: 1931-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD1138
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170396
PNG
(CHEMBL175675 | N-[4-(3-Dimethylamino-pyrrolidin-1-...)
Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C22H25N5O/c1-25(2)21-11-13-26(15-21)19-9-5-18(6-10-19)24-22(28)17-3-7-20(8-4-17)27-14-12-23-16-27/h3-10,12,14,16,21H,11,13,15H2,1-2H3,(H,24,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH

Bioorg Med Chem Lett 15: 3701-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50014145
PNG
(CHEMBL314298 | {1-[1-Benzyl-4-(2-benzyloxycarbonyl...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38+,39+,40-/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant HIV-1 protease.

J Med Chem 33: 2687-9 (1990)


BindingDB Entry DOI: 10.7270/Q2W37V89
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50014144
PNG
(CHEMBL83462 | {(S)-1-[(1S,2R,3R,4S)-1-Benzyl-4-((R...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38+,39+,40+/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant HIV-1 Protease

J Med Chem 33: 2687-9 (1990)


BindingDB Entry DOI: 10.7270/Q2W37V89
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50014149
PNG
(CHEMBL314758 | {1-[1-Benzyl-4-(2-benzyloxycarbonyl...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38+,39-,40-/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant HIV-1 protease.

J Med Chem 33: 2687-9 (1990)


BindingDB Entry DOI: 10.7270/Q2W37V89
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50046401
PNG
(CHEMBL432806 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1nccs1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N(C)Cc1nccs1)C(C)C
Show InChI InChI=1S/C40H54N8O6S2/c1-25(2)33(45-39(53)47(5)23-31-41-17-19-55-31)37(51)43-29(21-27-13-9-7-10-14-27)35(49)36(50)30(22-28-15-11-8-12-16-28)44-38(52)34(26(3)4)46-40(54)48(6)24-32-42-18-20-56-32/h7-20,25-26,29-30,33-36,49-50H,21-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t29-,30-,33-,34+,35+,36-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant HIV-1 protease in a fluorogenic assay

J Med Chem 36: 320-30 (1993)


BindingDB Entry DOI: 10.7270/Q25B01J6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50046439
PNG
(2N-[1-[1-benzyl-2-hydroxy-3-[1-(1H-2-indolylcarbox...)
Show SMILES CC(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(C)C
Show InChI InChI=1S/C45H50N6O5/c1-27(2)39(50-42(53)37-25-31-19-11-13-21-33(31)46-37)44(55)48-35(23-29-15-7-5-8-16-29)41(52)36(24-30-17-9-6-10-18-30)49-45(56)40(28(3)4)51-43(54)38-26-32-20-12-14-22-34(32)47-38/h5-22,25-28,35-36,39-41,46-47,52H,23-24H2,1-4H3,(H,48,55)(H,49,56)(H,50,53)(H,51,54)/t35-,36-,39-,40+,41?/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant HIV-1 protease in a fluorogenic assay

J Med Chem 36: 320-30 (1993)


BindingDB Entry DOI: 10.7270/Q25B01J6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50046435
PNG
(1N-[1-[1-benzyl-2,3-dihydroxy-4-[2-methyl-1-(4-phe...)
Show SMILES CC(C)[C@H](NC(=O)N1CCN(CC1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N1CCN(CC1)c1ccccc1)C(C)C
Show InChI InChI=1S/C50H66N8O6/c1-35(2)43(53-49(63)57-29-25-55(26-30-57)39-21-13-7-14-22-39)47(61)51-41(33-37-17-9-5-10-18-37)45(59)46(60)42(34-38-19-11-6-12-20-38)52-48(62)44(36(3)4)54-50(64)58-31-27-56(28-32-58)40-23-15-8-16-24-40/h5-24,35-36,41-46,59-60H,25-34H2,1-4H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64)/t41-,42-,43-,44+,45+,46-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant HIV-1 protease in a fluorogenic assay

J Med Chem 36: 320-30 (1993)


BindingDB Entry DOI: 10.7270/Q25B01J6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50046422
PNG
(CHEMBL324916 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)[C@H](NC(=O)CCc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CCc1cccnc1)C(C)C
Show InChI InChI=1S/C44H56N6O6/c1-29(2)39(49-37(51)21-19-33-17-11-23-45-27-33)43(55)47-35(25-31-13-7-5-8-14-31)41(53)42(54)36(26-32-15-9-6-10-16-32)48-44(56)40(30(3)4)50-38(52)22-20-34-18-12-24-46-28-34/h5-18,23-24,27-30,35-36,39-42,53-54H,19-22,25-26H2,1-4H3,(H,47,55)(H,48,56)(H,49,51)(H,50,52)/t35-,36-,39-,40+,41+,42-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant HIV-1 protease in a fluorogenic assay

J Med Chem 36: 320-30 (1993)


BindingDB Entry DOI: 10.7270/Q25B01J6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50046428
PNG
(CHEMBL112930 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)[C@H](NS(=O)(=O)CCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NS(=O)(=O)CCc1ccccn1)C(C)C
Show InChI InChI=1S/C42H56N6O8S2/c1-29(2)37(47-57(53,54)25-21-33-19-11-13-23-43-33)41(51)45-35(27-31-15-7-5-8-16-31)39(49)40(50)36(28-32-17-9-6-10-18-32)46-42(52)38(30(3)4)48-58(55,56)26-22-34-20-12-14-24-44-34/h5-20,23-24,29-30,35-40,47-50H,21-22,25-28H2,1-4H3,(H,45,51)(H,46,52)/t35-,36-,37-,38+,39-,40+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant HIV-1 protease in a fluorogenic assay

J Med Chem 36: 320-30 (1993)


BindingDB Entry DOI: 10.7270/Q25B01J6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50046392
PNG
(2N-[1-[1-benzyl-2-hydroxy-3-[2-methyl-1-(2-quinoly...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)c1ccc2ccccc2n1)C(C)C
Show InChI InChI=1S/C47H50N6O5/c1-29(2)41(52-44(55)37-25-23-33-19-11-13-21-35(33)48-37)46(57)50-39(27-31-15-7-5-8-16-31)43(54)40(28-32-17-9-6-10-18-32)51-47(58)42(30(3)4)53-45(56)38-26-24-34-20-12-14-22-36(34)49-38/h5-26,29-30,39-43,54H,27-28H2,1-4H3,(H,50,57)(H,51,58)(H,52,55)(H,53,56)/t39-,40-,41-,42+,43?/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant HIV-1 protease in a fluorogenic assay

J Med Chem 36: 320-30 (1993)


BindingDB Entry DOI: 10.7270/Q25B01J6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50046385
PNG
(CHEMBL331363 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N(C)Cc1cccnc1)C(C)C
Show InChI InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-19-13-21-45-25-33)41(55)47-35(23-31-15-9-7-10-16-31)39(53)40(54)36(24-32-17-11-8-12-18-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-20-14-22-46-26-34/h7-22,25-26,29-30,35-40,53-54H,23-24,27-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38+,39+,40-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant HIV-1 protease in a fluorogenic assay

J Med Chem 36: 320-30 (1993)


BindingDB Entry DOI: 10.7270/Q25B01J6
More data for this
Ligand-Target Pair
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