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Compile Data Set for Download or QSAR

Found 671 hits with Last Name = 'hunter' and Initial = 'r'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049912
PNG
(7-(1,1-Dimethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]...)
Show SMILES CCC(C)(C)n1c(C)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C16H21N5/c1-5-16(3,4)21-9(2)8-10-12(21)7-6-11-13(10)14(17)20-15(18)19-11/h6-8H,5H2,1-4H3,(H4,17,18,19,20)
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0.00710n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM18224
PNG
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)
Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
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0.0250n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049905
PNG
(7-(1-Ethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]quina...)
Show SMILES CCC(CC)n1c(C)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C16H21N5/c1-4-10(5-2)21-9(3)8-11-13(21)7-6-12-14(11)15(17)20-16(18)19-12/h6-8,10H,4-5H2,1-3H3,(H4,17,18,19,20)
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0.0300n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049901
PNG
(7-sec-Butyl-8-ethyl-7H-pyrrolo[3,2-f]quinazoline-1...)
Show SMILES CCC(C)n1c(CC)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C16H21N5/c1-4-9(3)21-10(5-2)8-11-13(21)7-6-12-14(11)15(17)20-16(18)19-12/h6-9H,4-5H2,1-3H3,(H4,17,18,19,20)
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0.100n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049906
PNG
(7-tert-Butyl-8-ethyl-7H-pyrrolo[3,2-f]quinazoline-...)
Show SMILES CCc1cc2c(ccc3nc(N)nc(N)c23)n1C(C)(C)C
Show InChI InChI=1S/C16H21N5/c1-5-9-8-10-12(21(9)16(2,3)4)7-6-11-13(10)14(17)20-15(18)19-11/h6-8H,5H2,1-4H3,(H4,17,18,19,20)
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0.100n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049907
PNG
(7-(1-Ethyl-propyl)-8-isopropyl-7H-pyrrolo[3,2-f]qu...)
Show SMILES CCC(CC)n1c(cc2c1ccc1nc(N)nc(N)c21)C(C)C
Show InChI InChI=1S/C18H25N5/c1-5-11(6-2)23-14-8-7-13-16(17(19)22-18(20)21-13)12(14)9-15(23)10(3)4/h7-11H,5-6H2,1-4H3,(H4,19,20,21,22)
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0.100n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049911
PNG
(8-tert-Butyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diam...)
Show SMILES CC(C)(C)c1cc2c(ccc3nc(N)nc(N)c23)[nH]1
Show InChI InChI=1S/C14H17N5/c1-14(2,3)10-6-7-8(17-10)4-5-9-11(7)12(15)19-13(16)18-9/h4-6,17H,1-3H3,(H4,15,16,18,19)
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0.120n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049898
PNG
(8-Isopropyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diami...)
Show SMILES CC(C)c1cc2c(ccc3nc(N)nc(N)c23)[nH]1
Show InChI InChI=1S/C13H15N5/c1-6(2)10-5-7-8(16-10)3-4-9-11(7)12(14)18-13(15)17-9/h3-6,16H,1-2H3,(H4,14,15,17,18)
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0.160n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169371
PNG
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-cyclopropylmethyl-...)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCC2(CCN(CC3CC3)CC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C30H30Cl2N4O/c31-26-15-27(32)17-28(16-26)35-29(37)34-20-30(10-12-36(13-11-30)19-21-4-5-21)25-8-6-23(7-9-25)24-3-1-2-22(14-24)18-33/h1-3,6-9,14-17,21H,4-5,10-13,19-20H2,(H2,34,35,37)
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0.170n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049909
PNG
(8-tert-Butyl-7-isopropyl-7H-pyrrolo[3,2-f]quinazol...)
Show SMILES CC(C)n1c(cc2c1ccc1nc(N)nc(N)c21)C(C)(C)C
Show InChI InChI=1S/C17H23N5/c1-9(2)22-12-7-6-11-14(15(18)21-16(19)20-11)10(12)8-13(22)17(3,4)5/h6-9H,1-5H3,(H4,18,19,20,21)
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0.200n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049897
PNG
(8-Ethyl-7-(1-ethyl-propyl)-7H-pyrrolo[3,2-f]quinaz...)
Show SMILES CCC(CC)n1c(CC)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C17H23N5/c1-4-10(5-2)22-11(6-3)9-12-14(22)8-7-13-15(12)16(18)21-17(19)20-13/h7-10H,4-6H2,1-3H3,(H4,18,19,20,21)
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0.200n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM18043
PNG
(1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QU...)
Show SMILES CCC(CC)n1ccc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19)
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0.220n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049899
PNG
(7-Isopropyl-8-methyl-7H-pyrrolo[3,2-f]quinazoline-...)
Show SMILES CC(C)n1c(C)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C14H17N5/c1-7(2)19-8(3)6-9-11(19)5-4-10-12(9)13(15)18-14(16)17-10/h4-7H,1-3H3,(H4,15,16,17,18)
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0.220n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049914
PNG
(7-(3,4,5-Trimethoxy-benzyl)-7H-pyrrolo[3,2-f]quina...)
Show SMILES COc1cc(Cn2ccc3c2ccc2nc(N)nc(N)c32)cc(OC)c1OC
Show InChI InChI=1S/C20H21N5O3/c1-26-15-8-11(9-16(27-2)18(15)28-3)10-25-7-6-12-14(25)5-4-13-17(12)19(21)24-20(22)23-13/h4-9H,10H2,1-3H3,(H4,21,22,23,24)
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0.230n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049905
PNG
(7-(1-Ethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]quina...)
Show SMILES CCC(CC)n1c(C)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C16H21N5/c1-4-10(5-2)21-9(3)8-11-13(21)7-6-12-14(11)15(17)20-16(18)19-12/h6-8,10H,4-5H2,1-3H3,(H4,17,18,19,20)
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0.300n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169377
PNG
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-propyl-piperidin-4...)
Show SMILES CCCN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C29H30Cl2N4O/c1-2-12-35-13-10-29(11-14-35,20-33-28(36)34-27-17-25(30)16-26(31)18-27)24-8-6-22(7-9-24)23-5-3-4-21(15-23)19-32/h3-9,15-18H,2,10-14,20H2,1H3,(H2,33,34,36)
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0.310n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049913
PNG
(7-Ethyl-8-isopropyl-7H-pyrrolo[3,2-f]quinazoline-1...)
Show SMILES CCn1c(cc2c1ccc1nc(N)nc(N)c21)C(C)C
Show InChI InChI=1S/C15H19N5/c1-4-20-11-6-5-10-13(14(16)19-15(17)18-10)9(11)7-12(20)8(2)3/h5-8H,4H2,1-3H3,(H4,16,17,18,19)
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0.330n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049902
PNG
(7,8-Diethyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diami...)
Show SMILES CCc1cc2c(ccc3nc(N)nc(N)c23)n1CC
Show InChI InChI=1S/C14H17N5/c1-3-8-7-9-11(19(8)4-2)6-5-10-12(9)13(15)18-14(16)17-10/h5-7H,3-4H2,1-2H3,(H4,15,16,17,18)
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0.330n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049896
PNG
(8-Butyl-7-tert-butyl-7H-pyrrolo[3,2-f]quinazoline-...)
Show SMILES CCCCc1cc2c(ccc3nc(N)nc(N)c23)n1C(C)(C)C
Show InChI InChI=1S/C18H25N5/c1-5-6-7-11-10-12-14(23(11)18(2,3)4)9-8-13-15(12)16(19)22-17(20)21-13/h8-10H,5-7H2,1-4H3,(H4,19,20,21,22)
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0.380n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049903
PNG
(7-(1-Ethyl-propyl)-8-propyl-7H-pyrrolo[3,2-f]quina...)
Show SMILES CCCc1cc2c(ccc3nc(N)nc(N)c23)n1C(CC)CC
Show InChI InChI=1S/C18H25N5/c1-4-7-12-10-13-15(23(12)11(5-2)6-3)9-8-14-16(13)17(19)22-18(20)21-14/h8-11H,4-7H2,1-3H3,(H4,19,20,21,22)
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0.400n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049912
PNG
(7-(1,1-Dimethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]...)
Show SMILES CCC(C)(C)n1c(C)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C16H21N5/c1-5-16(3,4)21-9(2)8-10-12(21)7-6-11-13(10)14(17)20-15(18)19-11/h6-8H,5H2,1-4H3,(H4,17,18,19,20)
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0.400n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169374
PNG
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-(2-methoxy-ethyl)-...)
Show SMILES COCCN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C29H30Cl2N4O2/c1-37-14-13-35-11-9-29(10-12-35,20-33-28(36)34-27-17-25(30)16-26(31)18-27)24-7-5-22(6-8-24)23-4-2-3-21(15-23)19-32/h2-8,15-18H,9-14,20H2,1H3,(H2,33,34,36)
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0.410n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169390
PNG
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-isopropyl-piperidi...)
Show SMILES CC(C)N1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C29H30Cl2N4O/c1-20(2)35-12-10-29(11-13-35,19-33-28(36)34-27-16-25(30)15-26(31)17-27)24-8-6-22(7-9-24)23-5-3-4-21(14-23)18-32/h3-9,14-17,20H,10-13,19H2,1-2H3,(H2,33,34,36)
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0.450n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169389
PNG
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C31H32Cl2N4O/c32-26-17-27(33)19-28(18-26)36-30(38)35-21-31(12-14-37(15-13-31)29-6-1-2-7-29)25-10-8-23(9-11-25)24-5-3-4-22(16-24)20-34/h3-5,8-11,16-19,29H,1-2,6-7,12-15,21H2,(H2,35,36,38)
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0.630n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049910
PNG
(7-Ethyl-8-propyl-7H-pyrrolo[3,2-f]quinazoline-1,3-...)
Show SMILES CCCc1cc2c(ccc3nc(N)nc(N)c23)n1CC
Show InChI InChI=1S/C15H19N5/c1-3-5-9-8-10-12(20(9)4-2)7-6-11-13(10)14(16)19-15(17)18-11/h6-8H,3-5H2,1-2H3,(H4,16,17,18,19)
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0.650n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168805
PNG
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-dimethylamino-buty...)
Show SMILES CN(C)CCC(CNC(=O)Nc1ccc(F)c(F)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H26F2N4O/c1-32(2)13-12-22(17-30-26(33)31-23-10-11-24(27)25(28)15-23)20-8-6-19(7-9-20)21-5-3-4-18(14-21)16-29/h3-11,14-15,22H,12-13,17H2,1-2H3,(H2,30,31,33)
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0.840n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168812
PNG
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-dimethylamino-buty...)
Show SMILES CN(C)CCC(CNC(=O)Nc1cc(F)cc(F)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H26F2N4O/c1-32(2)11-10-22(17-30-26(33)31-25-14-23(27)13-24(28)15-25)20-8-6-19(7-9-20)21-5-3-4-18(12-21)16-29/h3-9,12-15,22H,10-11,17H2,1-2H3,(H2,30,31,33)
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0.880n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168825
PNG
(1-(3-Chloro-4-fluoro-phenyl)-3-[2-(3'-cyano-biphen...)
Show SMILES CN(C)CCC(CNC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H26ClFN4O/c1-32(2)13-12-22(17-30-26(33)31-23-10-11-25(28)24(27)15-23)20-8-6-19(7-9-20)21-5-3-4-18(14-21)16-29/h3-11,14-15,22H,12-13,17H2,1-2H3,(H2,30,31,33)
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0.980n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169393
PNG
(1-(4-Chloro-3-trifluoromethyl-phenyl)-3-[4-(3'-cya...)
Show SMILES CN1CCC(CNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C28H26ClF3N4O/c1-36-13-11-27(12-14-36,22-7-5-20(6-8-22)21-4-2-3-19(15-21)17-33)18-34-26(37)35-23-9-10-25(29)24(16-23)28(30,31)32/h2-10,15-16H,11-14,18H2,1H3,(H2,34,35,37)
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0.980n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50392835
PNG
(CHEMBL2151181)
Show SMILES CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CC(=O)N(C)C(N)=N1
Show InChI InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(19)16(25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1
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<1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE2 by FRET assay


ACS Med Chem Lett 3: 897-902 (2012)


Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168791
PNG
(1-(3-Chloro-phenyl)-3-[2-(3'-cyano-biphenyl-4-yl)-...)
Show SMILES CN(C)CCC(CNC(=O)Nc1cccc(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H27ClN4O/c1-31(2)14-13-23(18-29-26(32)30-25-8-4-7-24(27)16-25)21-11-9-20(10-12-21)22-6-3-5-19(15-22)17-28/h3-12,15-16,23H,13-14,18H2,1-2H3,(H2,29,30,32)
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1.10n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169382
PNG
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-cyclohexyl-piperid...)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCC2(CCN(CC2)C2CCCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C32H34Cl2N4O/c33-27-18-28(34)20-29(19-27)37-31(39)36-22-32(13-15-38(16-14-32)30-7-2-1-3-8-30)26-11-9-24(10-12-26)25-6-4-5-23(17-25)21-35/h4-6,9-12,17-20,30H,1-3,7-8,13-16,22H2,(H2,36,37,39)
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1.20n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168800
PNG
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-dimethylamino-buty...)
Show SMILES CN(C)CCC(CNC(=O)Nc1cccc(F)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H27FN4O/c1-31(2)14-13-23(18-29-26(32)30-25-8-4-7-24(27)16-25)21-11-9-20(10-12-21)22-6-3-5-19(15-22)17-28/h3-12,15-16,23H,13-14,18H2,1-2H3,(H2,29,30,32)
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1.20n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049915
PNG
(8-Ethyl-7-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-...)
Show SMILES CCc1cc2c(ccc3nc(N)nc(N)c23)n1C
Show InChI InChI=1S/C13H15N5/c1-3-7-6-8-10(18(7)2)5-4-9-11(8)12(14)17-13(15)16-9/h4-6H,3H2,1-2H3,(H4,14,15,16,17)
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1.30n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169396
PNG
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-methyl-piperidin-4...)
Show SMILES CN1CCC(CNC(=O)Nc2ccc(F)c(F)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H26F2N4O/c1-33-13-11-27(12-14-33,18-31-26(34)32-23-9-10-24(28)25(29)16-23)22-7-5-20(6-8-22)21-4-2-3-19(15-21)17-30/h2-10,15-16H,11-14,18H2,1H3,(H2,31,32,34)
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1.40n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM18268
PNG
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
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1.40n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169376
PNG
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-methyl-piperidin-4...)
Show SMILES CN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H26Cl2N4O/c1-33-11-9-27(10-12-33,18-31-26(34)32-25-15-23(28)14-24(29)16-25)22-7-5-20(6-8-22)21-4-2-3-19(13-21)17-30/h2-8,13-16H,9-12,18H2,1H3,(H2,31,32,34)
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1.40n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169386
PNG
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-methyl-piperidin-4...)
Show SMILES CN1CCC(CNC(=O)Nc2cccc(c2)C#N)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C28H27N5O/c1-33-14-12-28(13-15-33,20-31-27(34)32-26-7-3-5-22(17-26)19-30)25-10-8-23(9-11-25)24-6-2-4-21(16-24)18-29/h2-11,16-17H,12-15,20H2,1H3,(H2,31,32,34)
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1.5n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50392835
PNG
(CHEMBL2151181)
Show SMILES CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CC(=O)N(C)C(N)=N1
Show InChI InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(19)16(25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 by FRET assay


ACS Med Chem Lett 3: 897-902 (2012)


Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM18224
PNG
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)
Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
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1.90n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM18268
PNG
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
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1.90n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049908
PNG
(7,8-Dimethyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diam...)
Show SMILES Cc1cc2c(ccc3nc(N)nc(N)c23)n1C
Show InChI InChI=1S/C12H13N5/c1-6-5-7-9(17(6)2)4-3-8-10(7)11(13)16-12(14)15-8/h3-5H,1-2H3,(H4,13,14,15,16)
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2n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169387
PNG
(CHEMBL366703 | N-(4'-{4-[3-(3,5-Dichloro-phenyl)-u...)
Show SMILES CN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C28H30Cl2N4O2/c1-19(35)32-25-5-3-4-21(14-25)20-6-8-22(9-7-20)28(10-12-34(2)13-11-28)18-31-27(36)33-26-16-23(29)15-24(30)17-26/h3-9,14-17H,10-13,18H2,1-2H3,(H,32,35)(H2,31,33,36)
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2.10n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169398
PNG
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-methyl-piperidin-4...)
Show SMILES CN1CCC(CNC(=O)Nc2ccccc2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H28N4O/c1-31-16-14-27(15-17-31,20-29-26(32)30-25-8-3-2-4-9-25)24-12-10-22(11-13-24)23-7-5-6-21(18-23)19-28/h2-13,18H,14-17,20H2,1H3,(H2,29,30,32)
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2.20n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169388
PNG
(1-(3,5-Dichloro-phenyl)-3-[1-methanesulfonyl-4-(4-...)
Show SMILES CS(=O)(=O)N1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C25H26Cl2N4O3S/c1-35(33,34)31-11-8-25(9-12-31,17-29-24(32)30-23-14-21(26)13-22(27)15-23)20-6-4-18(5-7-20)19-3-2-10-28-16-19/h2-7,10,13-16H,8-9,11-12,17H2,1H3,(H2,29,30,32)
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2.20n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168823
PNG
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-dimethylamino-buty...)
Show SMILES CN(C)CCC(CNC(=O)Nc1ccccc1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H28N4O/c1-30(2)16-15-24(19-28-26(31)29-25-9-4-3-5-10-25)22-13-11-21(12-14-22)23-8-6-7-20(17-23)18-27/h3-14,17,24H,15-16,19H2,1-2H3,(H2,28,29,31)
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2.40n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168802
PNG
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-methylamino-butyl]...)
Show SMILES CNCCC(CNC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H24Cl2N4O/c1-29-10-9-21(16-30-25(32)31-24-13-22(26)12-23(27)14-24)19-7-5-18(6-8-19)20-4-2-3-17(11-20)15-28/h2-8,11-14,21,29H,9-10,16H2,1H3,(H2,30,31,32)
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2.60n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169370
PNG
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-ethyl-piperidin-4-...)
Show SMILES CCN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C28H28Cl2N4O/c1-2-34-12-10-28(11-13-34,19-32-27(35)33-26-16-24(29)15-25(30)17-26)23-8-6-21(7-9-23)22-5-3-4-20(14-22)18-31/h3-9,14-17H,2,10-13,19H2,1H3,(H2,32,33,35)
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2.60n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169392
PNG
(1-[4-(3'-Chloro-biphenyl-4-yl)-1-methyl-piperidin-...)
Show SMILES CN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H26Cl3N3O/c1-32-11-9-26(10-12-32,17-30-25(33)31-24-15-22(28)14-23(29)16-24)20-7-5-18(6-8-20)19-3-2-4-21(27)13-19/h2-8,13-16H,9-12,17H2,1H3,(H2,30,31,33)
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2.60n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168810
PNG
(1-[2-(3'-Cyano-biphenyl-4-yl)-4-cyclopentylamino-b...)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCC(CCNC2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C29H30Cl2N4O/c30-25-15-26(31)17-28(16-25)35-29(36)34-19-24(12-13-33-27-6-1-2-7-27)22-10-8-21(9-11-22)23-5-3-4-20(14-23)18-32/h3-5,8-11,14-17,24,27,33H,1-2,6-7,12-13,19H2,(H2,34,35,36)
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3n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
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