BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2025 hits with Last Name = 'baker' and Initial = 't'   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM577
PNG
((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
MMDB
PDB
PubMed
<0.100n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM9235
PNG
((2S)-N-(cyclopentylmethyl)-3-[(3S,5R)-3,5-dibenzyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)C1=O)CC1CCCC1 |r|
Show InChI InChI=1S/C34H42N2O5S/c1-41-32-16-18-33(19-17-32)42(39,40)35(23-28-14-8-9-15-28)24-31(37)25-36-30(21-27-12-6-3-7-13-27)22-29(34(36)38)20-26-10-4-2-5-11-26/h2-7,10-13,16-19,28-31,37H,8-9,14-15,20-25H2,1H3/t29-,30-,31+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Compound was assayed for inhibition against HIV protease activity

Bioorg Med Chem Lett 8: 3637-42 (1999)


BindingDB Entry DOI: 10.7270/Q2GM86FH
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM577
PNG
((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
MMDB
PDB
PubMed
 0.600n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Compound was assayed for inhibition against HIV protease activity

Bioorg Med Chem Lett 8: 3637-42 (1999)


BindingDB Entry DOI: 10.7270/Q2GM86FH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073365
PNG
((S)-2-(3-{(R)-3-[Cyclopentylmethyl-(4-methoxy-phen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)CC1CCCC1
Show InChI InChI=1S/C37H49N3O7S/c1-28(2)35(36(42)47-27-31-16-8-5-9-17-31)38-37(43)39(23-22-29-12-6-4-7-13-29)25-32(41)26-40(24-30-14-10-11-15-30)48(44,45)34-20-18-33(46-3)19-21-34/h4-9,12-13,16-21,28,30,32,35,41H,10-11,14-15,22-27H2,1-3H3,(H,38,43)/t32-,35-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 7n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50039111
PNG
(S-(N-Hydroxy-N-(4-bromophenyl)carbamoyl)glutathion...)
Show SMILES [NH3+]C(CCC(=O)NC(CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC([O-])=O)C([O-])=O
Show InChI InChI=1S/C17H21BrN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/p-1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
 14n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human erythrocyte glyoxalase I

J Med Chem 37: 2161-6 (1994)


BindingDB Entry DOI: 10.7270/Q2TT4RKK
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073364
PNG
(CHEMBL122542 | {(S)-3-[Cyclopentylmethyl-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)OC1COCOC1)CC1CCCC1
Show InChI InChI=1S/C29H40N2O8S/c1-36-26-11-13-28(14-12-26)40(34,35)31(17-24-9-5-6-10-24)19-25(32)18-30(16-15-23-7-3-2-4-8-23)29(33)39-27-20-37-22-38-21-27/h2-4,7-8,11-14,24-25,27,32H,5-6,9-10,15-22H2,1H3/t25-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 15n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073368
PNG
(CHEMBL119490 | N-Cyclopentylmethyl-N-[(S)-3-((S)-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)CN(Cc2ccccc2)C1=O)CC1CCCC1
Show InChI InChI=1S/C33H41N3O5S/c1-41-31-16-18-32(19-17-31)42(39,40)35(22-28-14-8-9-15-28)24-30(37)25-36-29(20-26-10-4-2-5-11-26)23-34(33(36)38)21-27-12-6-3-7-13-27/h2-7,10-13,16-19,28-30,37H,8-9,14-15,20-25H2,1H3/t29-,30+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 15n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Compound was assayed for inhibition against HIV protease activity

Bioorg Med Chem Lett 8: 3637-42 (1999)


BindingDB Entry DOI: 10.7270/Q2GM86FH
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073353
PNG
(CHEMBL332611 | {(S)-3-[Cyclopentylmethyl-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)OCc1cccnc1)CC1CCCC1
Show InChI InChI=1S/C31H39N3O6S/c1-39-29-13-15-30(16-14-29)41(37,38)34(21-26-10-5-6-11-26)23-28(35)22-33(19-17-25-8-3-2-4-9-25)31(36)40-24-27-12-7-18-32-20-27/h2-4,7-9,12-16,18,20,26,28,35H,5-6,10-11,17,19,21-24H2,1H3/t28-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 17n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Compound was assayed for inhibition against HIV protease activity

Bioorg Med Chem Lett 8: 3637-42 (1999)


BindingDB Entry DOI: 10.7270/Q2GM86FH
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073353
PNG
(CHEMBL332611 | {(S)-3-[Cyclopentylmethyl-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)OCc1cccnc1)CC1CCCC1
Show InChI InChI=1S/C31H39N3O6S/c1-39-29-13-15-30(16-14-29)41(37,38)34(21-26-10-5-6-11-26)23-28(35)22-33(19-17-25-8-3-2-4-9-25)31(36)40-24-27-12-7-18-32-20-27/h2-4,7-9,12-16,18,20,26,28,35H,5-6,10-11,17,19,21-24H2,1H3/t28-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 17n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073369
PNG
(CHEMBL433187 | N-[(S)-3-((S)-3-Benzyl-5-oxo-1,4-di...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)CNC2(CCCCC2)C1=O)CC1CCCC1
Show InChI InChI=1S/C32H45N3O5S/c1-40-29-14-16-30(17-15-29)41(38,39)34(22-26-12-6-7-13-26)23-28(36)24-35-27(20-25-10-4-2-5-11-25)21-33-32(31(35)37)18-8-3-9-19-32/h2,4-5,10-11,14-17,26-28,33,36H,3,6-9,12-13,18-24H2,1H3/t27-,28+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 17n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Compound was assayed for inhibition against HIV protease activity

Bioorg Med Chem Lett 8: 3637-42 (1999)


BindingDB Entry DOI: 10.7270/Q2GM86FH
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073350
PNG
(CHEMBL121146 | {(S)-3-[Cyclopentylmethyl-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)OCc1ccccc1)CC1CCCC1
Show InChI InChI=1S/C32H40N2O6S/c1-39-30-16-18-31(19-17-30)41(37,38)34(22-27-12-8-9-13-27)24-29(35)23-33(21-20-26-10-4-2-5-11-26)32(36)40-25-28-14-6-3-7-15-28/h2-7,10-11,14-19,27,29,35H,8-9,12-13,20-25H2,1H3/t29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 20n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073346
PNG
(CHEMBL119998 | N-{(S)-3-[Cyclopentylmethyl-(4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)Cc1ccccc1)CC1CCCC1
Show InChI InChI=1S/C32H40N2O5S/c1-39-30-16-18-31(19-17-30)40(37,38)34(23-28-14-8-9-15-28)25-29(35)24-33(21-20-26-10-4-2-5-11-26)32(36)22-27-12-6-3-7-13-27/h2-7,10-13,16-19,28-29,35H,8-9,14-15,20-25H2,1H3/t29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 20n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073360
PNG
(CHEMBL333312 | N-[(S)-3-(3-Benzyl-1-phenethyl-urei...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)NCc1ccccc1)CC1CCCC1
Show InChI InChI=1S/C32H41N3O5S/c1-40-30-16-18-31(19-17-30)41(38,39)35(23-28-14-8-9-15-28)25-29(36)24-34(21-20-26-10-4-2-5-11-26)32(37)33-22-27-12-6-3-7-13-27/h2-7,10-13,16-19,28-29,36H,8-9,14-15,20-25H2,1H3,(H,33,37)/t29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 22n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound against HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073356
PNG
(1N-[3-cyclopentylmethyl(4-methoxyphenyl)sulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)Cc1ccncc1NS(N)(=O)=O)CC1CCCC1
Show InChI InChI=1S/C31H41N5O7S2/c1-43-28-11-13-29(14-12-28)44(39,40)36(21-25-9-5-6-10-25)23-27(37)22-35(18-16-24-7-3-2-4-8-24)31(38)19-26-15-17-33-20-30(26)34-45(32,41)42/h2-4,7-8,11-15,17,20,25,27,34,37H,5-6,9-10,16,18-19,21-23H2,1H3,(H2,32,41,42)/t27-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 27n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073359
PNG
(1N-[3-cyclopentylmethyl(4-methoxyphenyl)sulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)Cc1cccc(NS(N)(=O)=O)c1)CC1CCCC1
Show InChI InChI=1S/C32H42N4O7S2/c1-43-30-14-16-31(17-15-30)44(39,40)36(22-26-10-5-6-11-26)24-29(37)23-35(19-18-25-8-3-2-4-9-25)32(38)21-27-12-7-13-28(20-27)34-45(33,41)42/h2-4,7-9,12-17,20,26,29,34,37H,5-6,10-11,18-19,21-24H2,1H3,(H2,33,41,42)/t29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 29n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073340
PNG
(CHEMBL120843 | {(S)-3-[Cyclopentylmethyl-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)OCc1cncs1)CC1CCCC1
Show InChI InChI=1S/C29H37N3O6S2/c1-37-26-11-13-28(14-12-26)40(35,36)32(18-24-9-5-6-10-24)20-25(33)19-31(16-15-23-7-3-2-4-8-23)29(34)38-21-27-17-30-22-39-27/h2-4,7-8,11-14,17,22,24-25,33H,5-6,9-10,15-16,18-21H2,1H3/t25-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 38n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073347
PNG
(CHEMBL331105 | {(S)-3-[Cyclopentylmethyl-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)OC1CCS(=O)(=O)C1)CC1CCCC1
Show InChI InChI=1S/C29H40N2O8S2/c1-38-26-11-13-28(14-12-26)41(36,37)31(19-24-9-5-6-10-24)21-25(32)20-30(17-15-23-7-3-2-4-8-23)29(33)39-27-16-18-40(34,35)22-27/h2-4,7-8,11-14,24-25,27,32H,5-6,9-10,15-22H2,1H3/t25-,27?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 38n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073366
PNG
(CHEMBL122936 | {(S)-3-[Cyclopentylmethyl-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)O[C@H]1CCOC1)CC1CCCC1
Show InChI InChI=1S/C29H40N2O7S/c1-36-26-11-13-28(14-12-26)39(34,35)31(19-24-9-5-6-10-24)21-25(32)20-30(17-15-23-7-3-2-4-8-23)29(33)38-27-16-18-37-22-27/h2-4,7-8,11-14,24-25,27,32H,5-6,9-10,15-22H2,1H3/t25-,27-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 40n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073362
PNG
(CHEMBL264550 | N-Cyclopentylmethyl-N-{(S)-2-hydrox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CC1CCCC1
Show InChI InChI=1S/C34H43N3O6S/c1-43-29-15-17-30(18-16-29)44(41,42)37(22-26-11-5-6-12-26)24-28(38)23-36(20-19-25-9-3-2-4-10-25)34(40)35-33-31-14-8-7-13-27(31)21-32(33)39/h2-4,7-10,13-18,26,28,32-33,38-39H,5-6,11-12,19-24H2,1H3,(H,35,40)/t28-,32+,33-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 43n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound against HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50039108
PNG
(S-(N-Hydroxy-N-(4-chlorophenyl)carbamoyl)glutathio...)
Show SMILES [NH3+]C(CCC(=O)NC(CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC([O-])=O)C([O-])=O
Show InChI InChI=1S/C17H21ClN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/p-1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
 46n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human erythrocyte glyoxalase I

J Med Chem 37: 2161-6 (1994)


BindingDB Entry DOI: 10.7270/Q2TT4RKK
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073354
PNG
(CHEMBL331879 | {(S)-3-[Cyclopentylmethyl-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)O[C@@H]1CO[C@H]2OCC[C@@H]12)CC1CCCC1
Show InChI InChI=1S/C31H42N2O8S/c1-38-26-11-13-27(14-12-26)42(36,37)33(19-24-9-5-6-10-24)21-25(34)20-32(17-15-23-7-3-2-4-8-23)31(35)41-29-22-40-30-28(29)16-18-39-30/h2-4,7-8,11-14,24-25,28-30,34H,5-6,9-10,15-22H2,1H3/t25-,28-,29+,30+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 50n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073357
PNG
(CHEMBL332564 | {(S)-3-[Cyclopentylmethyl-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)OCC1COCO1)CC1CCCC1
Show InChI InChI=1S/C29H40N2O8S/c1-36-26-11-13-28(14-12-26)40(34,35)31(17-24-9-5-6-10-24)19-25(32)18-30(16-15-23-7-3-2-4-8-23)29(33)38-21-27-20-37-22-39-27/h2-4,7-8,11-14,24-25,27,32H,5-6,9-10,15-22H2,1H3/t25-,27?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 65n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073363
PNG
(CHEMBL121254 | N-{(S)-3-[Cyclopentylmethyl-(4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)Cc1cccc(O)c1C)CC1CCCC1
Show InChI InChI=1S/C33H42N2O6S/c1-25-28(13-8-14-32(25)37)21-33(38)34(20-19-26-9-4-3-5-10-26)23-29(36)24-35(22-27-11-6-7-12-27)42(39,40)31-17-15-30(41-2)16-18-31/h3-5,8-10,13-18,27,29,36-37H,6-7,11-12,19-24H2,1-2H3/t29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 66n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073341
PNG
(1N-[3-cyclopentylmethyl(4-methoxyphenyl)sulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)CC1CCCC(C1)NS(N)(=O)=O)CC1CCCC1
Show InChI InChI=1S/C32H48N4O7S2/c1-43-30-14-16-31(17-15-30)44(39,40)36(22-26-10-5-6-11-26)24-29(37)23-35(19-18-25-8-3-2-4-9-25)32(38)21-27-12-7-13-28(20-27)34-45(33,41)42/h2-4,8-9,14-17,26-29,34,37H,5-7,10-13,18-24H2,1H3,(H2,33,41,42)/t27?,28?,29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 76n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073348
PNG
(CHEMBL124161 | {(S)-3-[Cyclopentylmethyl-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)OC1CCSC1)CC1CCCC1
Show InChI InChI=1S/C29H40N2O6S2/c1-36-26-11-13-28(14-12-26)39(34,35)31(19-24-9-5-6-10-24)21-25(32)20-30(17-15-23-7-3-2-4-8-23)29(33)37-27-16-18-38-22-27/h2-4,7-8,11-14,24-25,27,32H,5-6,9-10,15-22H2,1H3/t25-,27?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 104n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073339
PNG
(CHEMBL331429 | {(S)-3-[Cyclopentylmethyl-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)OC(C)(C)C)CC1CCCC1
Show InChI InChI=1S/C29H42N2O6S/c1-29(2,3)37-28(33)30(19-18-23-10-6-5-7-11-23)21-25(32)22-31(20-24-12-8-9-13-24)38(34,35)27-16-14-26(36-4)15-17-27/h5-7,10-11,14-17,24-25,32H,8-9,12-13,18-22H2,1-4H3/t25-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 125n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 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
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50039113
PNG
(S-(N-Hydroxy-N-phenylcarbamoyl)glutathione)
Show SMILES [NH3+]C(CCC(=O)NC(CSC(=O)N(O)c1ccccc1)C(=O)NCC([O-])=O)C([O-])=O
Show InChI InChI=1S/C17H22N4O8S/c18-11(16(26)27)6-7-13(22)20-12(15(25)19-8-14(23)24)9-30-17(28)21(29)10-4-2-1-3-5-10/h1-5,11-12,29H,6-9,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/p-1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
 160n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human erythrocyte glyoxalase I

J Med Chem 37: 2161-6 (1994)


BindingDB Entry DOI: 10.7270/Q2TT4RKK
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073355
PNG
(CHEMBL123186 | {(S)-3-[Cyclopentylmethyl-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)Oc1ccccc1)CC1CCCC1
Show InChI InChI=1S/C31H38N2O6S/c1-38-28-16-18-30(19-17-28)40(36,37)33(22-26-12-8-9-13-26)24-27(34)23-32(21-20-25-10-4-2-5-11-25)31(35)39-29-14-6-3-7-15-29/h2-7,10-11,14-19,26-27,34H,8-9,12-13,20-24H2,1H3/t27-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 173n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073351
PNG
(CHEMBL333037 | {(S)-3-[Cyclopentylmethyl-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)OCc1ccncc1)CC1CCCC1
Show InChI InChI=1S/C31H39N3O6S/c1-39-29-11-13-30(14-12-29)41(37,38)34(21-26-9-5-6-10-26)23-28(35)22-33(20-17-25-7-3-2-4-8-25)31(36)40-24-27-15-18-32-19-16-27/h2-4,7-8,11-16,18-19,26,28,35H,5-6,9-10,17,20-24H2,1H3/t28-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 200n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073352
PNG
(1N-[3-cyclopentylmethyl(4-methoxyphenyl)sulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)Cc1cncc(NS(N)(=O)=O)c1)CC1CCCC1
Show InChI InChI=1S/C31H41N5O7S2/c1-43-29-11-13-30(14-12-29)44(39,40)36(21-25-9-5-6-10-25)23-28(37)22-35(16-15-24-7-3-2-4-8-24)31(38)18-26-17-27(20-33-19-26)34-45(32,41)42/h2-4,7-8,11-14,17,19-20,25,28,34,37H,5-6,9-10,15-16,18,21-23H2,1H3,(H2,32,41,42)/t28-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 220n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073338
PNG
(CHEMBL121023 | {(S)-3-[Cyclopentylmethyl-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)OC1CCCSC1)CC1CCCC1
Show InChI InChI=1S/C30H42N2O6S2/c1-37-27-13-15-29(16-14-27)40(35,36)32(20-25-10-5-6-11-25)22-26(33)21-31(18-17-24-8-3-2-4-9-24)30(34)38-28-12-7-19-39-23-28/h2-4,8-9,13-16,25-26,28,33H,5-7,10-12,17-23H2,1H3/t26-,28?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 300n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 2025 total )  |  Next  |  Last  >>
Jump to: