Found 16 hits with Last Name = 'moroni' and Initial = 'g' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50022802
(CHEMBL2046866)Show SMILES CC(C)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N1)C(O)=O Show InChI InChI=1S/C60H88N18O15S2/c1-30(2)47-56(90)74-41(24-32-15-17-34(79)18-16-32)52(86)72-40(13-8-22-67-60(64)65)57(91)78-23-9-14-44(78)55(89)75-43(29-95-94-28-36(61)49(83)69-27-45(80)70-38(50(84)76-47)12-7-21-66-59(62)63)54(88)73-42(25-33-26-68-37-11-6-5-10-35(33)37)53(87)71-39(19-20-46(81)82)51(85)77-48(31(3)4)58(92)93/h5-6,10-11,15-18,26,30-31,36,38-44,47-48,68,79H,7-9,12-14,19-25,27-29,61H2,1-4H3,(H,69,83)(H,70,80)(H,71,87)(H,72,86)(H,73,88)(H,74,90)(H,75,89)(H,76,84)(H,77,85)(H,81,82)(H,92,93)(H4,62,63,66)(H4,64,65,67)/t36-,38+,39-,40-,41+,42-,43+,44+,47-,48-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Georgia
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans |
J Med Chem 48: 3949-52 (2005)
Article DOI: 10.1021/jm050060l |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50022803
(CHEMBL5288617)Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](C(C)C)C(O)=O Show InChI InChI=1S/C90H141N27O24S4/c1-43(2)67-83(136)110-60(37-48-23-25-50(119)26-24-48)78(131)108-59(21-15-33-100-90(96)97)86(139)117-34-16-22-64(117)82(135)111-62(81(134)109-61(38-49-40-101-53-18-12-11-17-51(49)53)79(132)106-56(27-28-65(120)121)76(129)115-69(45(5)6)87(140)141)41-144-145-42-63(80(133)105-55(75(128)113-67)20-14-32-99-89(94)95)112-84(137)68(44(3)4)114-77(130)58(30-36-143-10)103-71(124)46(7)102-73(126)54(19-13-31-98-88(92)93)104-74(127)57(29-35-142-9)107-85(138)70(47(8)118)116-72(125)52(91)39-66(122)123/h11-12,17-18,23-26,40,43-47,52,54-64,67-70,101,118-119H,13-16,19-22,27-39,41-42,91H2,1-10H3,(H,102,126)(H,103,124)(H,104,127)(H,105,133)(H,106,132)(H,107,138)(H,108,131)(H,109,134)(H,110,136)(H,111,135)(H,112,137)(H,113,128)(H,114,130)(H,115,129)(H,116,125)(H,120,121)(H,122,123)(H,140,141)(H4,92,93,98)(H4,94,95,99)(H4,96,97,100)/t46-,47+,52-,54-,55-,56+,57-,58-,59+,60-,61+,62-,63-,64-,67+,68-,69+,70-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Georgia
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli |
J Med Chem 48: 3949-52 (2005)
Article DOI: 10.1021/jm050060l |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429537
(CHEMBL2333770)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30) | PDB
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Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Georgia
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans |
J Med Chem 48: 3949-52 (2005)
Article DOI: 10.1021/jm050060l |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM129261
(US8815951, 297)Show InChI InChI=1S/C19H38N2O/c1-2-3-4-5-6-7-8-9-10-14-17-20-19(22)21-18-15-12-11-13-16-18/h18H,2-17H2,1H3,(H2,20,21,22) | PDB
KEGG
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MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Georgia
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans |
J Med Chem 48: 3949-52 (2005)
Article DOI: 10.1021/jm050060l |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50120392
(CHEMBL5282574)Show SMILES CCCNCc1ccc(cc1)-c1[nH]c2cccc3c2c1c(=O)[nH][nH]c3=O Show InChI InChI=1S/C20H20N4O2/c1-2-10-21-11-12-6-8-13(9-7-12)18-17-16-14(4-3-5-15(16)22-18)19(25)23-24-20(17)26/h3-9,21-22H,2,10-11H2,1H3,(H,23,25)(H,24,26) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Georgia
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans |
J Med Chem 48: 3949-52 (2005)
Article DOI: 10.1021/jm050060l |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50056299
(CHEMBL5288434)Show SMILES CCCn1nc(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)(C)C Show InChI InChI=1S/C25H28N6O2/c1-5-14-31-20(21(24(32)33)22(28-31)25(2,3)4)15-16-10-12-17(13-11-16)18-8-6-7-9-19(18)23-26-29-30-27-23/h6-13H,5,14-15H2,1-4H3,(H,32,33)(H,26,27,29,30) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Georgia
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli |
J Med Chem 48: 3949-52 (2005)
Article DOI: 10.1021/jm050060l |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50187004
(3-(3,4-dioxo-2-(phenylamino)cyclobut-1-enylamino)-...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O Show InChI InChI=1S/C19H17N3O4/c1-22(2)19(26)12-9-6-10-13(16(12)23)21-15-14(17(24)18(15)25)20-11-7-4-3-5-8-11/h3-10,20-21,23H,1-2H3 | PDB
Reactome pathway
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Georgia
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans |
J Med Chem 48: 3949-52 (2005)
Article DOI: 10.1021/jm050060l |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50200880
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 |r| Show InChI InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1 | PDB
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MCE
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| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Georgia
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans |
J Med Chem 48: 3949-52 (2005)
Article DOI: 10.1021/jm050060l |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50200880
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 |r| Show InChI InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1 | PDB
UniProtKB/SwissProt
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antibodypedia
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CHEMBL
MCE
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PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Georgia
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli |
J Med Chem 48: 3949-52 (2005)
Article DOI: 10.1021/jm050060l |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50510067
(CHEMBL4464747)Show SMILES [H][C@@]12CCN(C(=O)OC(C)(C)C)[C@]1([H])c1ccc3CCCCc3c1N[C@H]2c1ccsc1 |r| Show InChI InChI=1S/C24H30N2O2S/c1-24(2,3)28-23(27)26-12-10-19-20(16-11-13-29-14-16)25-21-17-7-5-4-6-15(17)8-9-18(21)22(19)26/h8-9,11,13-14,19-20,22,25H,4-7,10,12H2,1-3H3/t19-,20-,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Agonist activity at PXR (unknown origin) by AlphaScreen assay |
ACS Med Chem Lett 10: 677-681 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00459
BindingDB Entry DOI: 10.7270/Q2GT5RHZ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50510066
(CHEMBL4476183)Show SMILES [H][C@]12CCN(C(=O)OC(C)(C)C)[C@@]1([H])c1ccc3CCCCc3c1N[C@H]2c1ccsc1 |r| Show InChI InChI=1S/C24H30N2O2S/c1-24(2,3)28-23(27)26-12-10-19-20(16-11-13-29-14-16)25-21-17-7-5-4-6-15(17)8-9-18(21)22(19)26/h8-9,11,13-14,19-20,22,25H,4-7,10,12H2,1-3H3/t19-,20+,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Agonist activity at PXR (unknown origin) by AlphaScreen assay |
ACS Med Chem Lett 10: 677-681 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00459
BindingDB Entry DOI: 10.7270/Q2GT5RHZ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50510069
(CHEMBL4467862)Show SMILES [H][C@]12CCN(C(=O)OC(C)(C)C)[C@@]1([H])c1ccc3CCCCc3c1N[C@@H]2c1ccsc1 |r| Show InChI InChI=1S/C24H30N2O2S/c1-24(2,3)28-23(27)26-12-10-19-20(16-11-13-29-14-16)25-21-17-7-5-4-6-15(17)8-9-18(21)22(19)26/h8-9,11,13-14,19-20,22,25H,4-7,10,12H2,1-3H3/t19-,20-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Agonist activity at PXR (unknown origin) by AlphaScreen assay |
ACS Med Chem Lett 10: 677-681 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00459
BindingDB Entry DOI: 10.7270/Q2GT5RHZ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50510064
(CHEMBL4451601)Show SMILES [H][C@]12CCN(C(=O)OC(C)(C)C)[C@@]1([H])c1ccc3CCCCc3c1N[C@H]2c1ccco1 |r| Show InChI InChI=1S/C24H30N2O3/c1-24(2,3)29-23(27)26-13-12-18-21(19-9-6-14-28-19)25-20-16-8-5-4-7-15(16)10-11-17(20)22(18)26/h6,9-11,14,18,21-22,25H,4-5,7-8,12-13H2,1-3H3/t18-,21-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Agonist activity at PXR (unknown origin) by AlphaScreen assay |
ACS Med Chem Lett 10: 677-681 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00459
BindingDB Entry DOI: 10.7270/Q2GT5RHZ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50510068
(CHEMBL4543651)Show SMILES [H][C@]12CCO[C@@]1([H])c1ccc3CCCCc3c1N[C@H]2c1ccsc1 |r| Show InChI InChI=1S/C19H21NOS/c1-2-4-14-12(3-1)5-6-15-18(14)20-17(13-8-10-22-11-13)16-7-9-21-19(15)16/h5-6,8,10-11,16-17,19-20H,1-4,7,9H2/t16-,17+,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Agonist activity at PXR (unknown origin) by AlphaScreen assay |
ACS Med Chem Lett 10: 677-681 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00459
BindingDB Entry DOI: 10.7270/Q2GT5RHZ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Agonist activity at PXR (unknown origin) by AlphaScreen assay |
ACS Med Chem Lett 10: 677-681 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00459
BindingDB Entry DOI: 10.7270/Q2GT5RHZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50510065
(CHEMBL4449679)Show SMILES [H][C@@]12CCN(C(=O)OC(C)(C)C)[C@]1([H])c1ccc3CCCCc3c1N[C@@H]2c1ccsc1 |r| Show InChI InChI=1S/C24H30N2O2S/c1-24(2,3)28-23(27)26-12-10-19-20(16-11-13-29-14-16)25-21-17-7-5-4-6-15(17)8-9-18(21)22(19)26/h8-9,11,13-14,19-20,22,25H,4-7,10,12H2,1-3H3/t19-,20+,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Agonist activity at PXR (unknown origin) by AlphaScreen assay |
ACS Med Chem Lett 10: 677-681 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00459
BindingDB Entry DOI: 10.7270/Q2GT5RHZ |
More data for this
Ligand-Target Pair | |
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