Found 309 hits with Last Name = 'reilly' and Initial = 'mk' 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 |
|---|
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1
(Saccharomyces cerevisiae (Baker's yeast)) | BDBM43866
(2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,1...)Show SMILES CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1 | PDB
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| Article
PubMed
| 41 | -38.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 0 |
Massachusetts Institute of Technology
| Assay Description
Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le... |
Chem Biol 9: 1323-8 (2002)
Article DOI: 10.1016/S1074-5521(02)00281-8
BindingDB Entry DOI: 10.7270/Q2736P9D |
More data for this
Ligand-Target Pair | |
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1
(Saccharomyces cerevisiae (Baker's yeast)) | BDBM43865
(6-formyl-4,7-dihydroxy-9-keto-5H-phenazine-1-carbo...)Show InChI InChI=1S/C15H10N2O6/c1-23-15(22)6-2-3-8(19)13-11(6)16-14-10(21)4-9(20)7(5-18)12(14)17-13/h2-5,19-21H,1H3 | PDB
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| 62 | -37.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 0 |
Massachusetts Institute of Technology
| Assay Description
Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le... |
Chem Biol 9: 1323-8 (2002)
Article DOI: 10.1016/S1074-5521(02)00281-8
BindingDB Entry DOI: 10.7270/Q2736P9D |
More data for this
Ligand-Target Pair | |
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1
(Saccharomyces cerevisiae (Baker's yeast)) | BDBM43863
(3-[[4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrim...)Show SMILES COc1ccc(OC)c(Nc2nc(NCCCN(C)C)nc(N)c2[N+]([O-])=O)c1 Show InChI InChI=1S/C17H25N7O4/c1-23(2)9-5-8-19-17-21-15(18)14(24(25)26)16(22-17)20-12-10-11(27-3)6-7-13(12)28-4/h6-7,10H,5,8-9H2,1-4H3,(H4,18,19,20,21,22) | PDB
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| 1.10E+3 | -31.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 0 |
Massachusetts Institute of Technology
| Assay Description
Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le... |
Chem Biol 9: 1323-8 (2002)
Article DOI: 10.1016/S1074-5521(02)00281-8
BindingDB Entry DOI: 10.7270/Q2736P9D |
More data for this
Ligand-Target Pair | |
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1
(Saccharomyces cerevisiae (Baker's yeast)) | BDBM43860
(Glycopeptide, 2 | MLS000517385 | N-(4-acetamidophe...)Show InChI InChI=1S/C14H12ClN3O2/c1-9(19)17-11-3-5-12(6-4-11)18-14(20)10-2-7-13(15)16-8-10/h2-8H,1H3,(H,17,19)(H,18,20) | PDB
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| 2.50E+3 | -29.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 0 |
Massachusetts Institute of Technology
| Assay Description
Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le... |
Chem Biol 9: 1323-8 (2002)
Article DOI: 10.1016/S1074-5521(02)00281-8
BindingDB Entry DOI: 10.7270/Q2736P9D |
More data for this
Ligand-Target Pair | |
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1
(Saccharomyces cerevisiae (Baker's yeast)) | BDBM43864
(2-chloranyl-N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2...)Show SMILES Clc1cc(ccc1C(=O)Nc1ccc(cc1)C1=NCCN1)C(=O)Nc1ccc(cc1)C1=NCCN1 |t:18,34| Show InChI InChI=1S/C26H23ClN6O2/c27-22-15-18(25(34)32-19-6-1-16(2-7-19)23-28-11-12-29-23)5-10-21(22)26(35)33-20-8-3-17(4-9-20)24-30-13-14-31-24/h1-10,15H,11-14H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35) | PDB
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| 4.00E+3 | -28.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 0 |
Massachusetts Institute of Technology
| Assay Description
Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le... |
Chem Biol 9: 1323-8 (2002)
Article DOI: 10.1016/S1074-5521(02)00281-8
BindingDB Entry DOI: 10.7270/Q2736P9D |
More data for this
Ligand-Target Pair | |
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1
(Saccharomyces cerevisiae (Baker's yeast)) | BDBM43861
(4-[7-[4-[diethyl(methyl)ammonio]butoxy]-9-keto-flu...)Show SMILES CC[N+](C)(CC)CCCCOc1ccc2-c3ccc(OCCCC[N+](C)(CC)CC)cc3C(=O)c2c1 Show InChI InChI=1S/C31H48N2O3/c1-7-32(5,8-2)19-11-13-21-35-25-15-17-27-28-18-16-26(24-30(28)31(34)29(27)23-25)36-22-14-12-20-33(6,9-3)10-4/h15-18,23-24H,7-14,19-22H2,1-6H3/q+2 | PDB
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| 4.50E+3 | -28.0 | n/a | n/a | n/a | n/a | n/a | 7.5 | 0 |
Massachusetts Institute of Technology
| Assay Description
Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le... |
Chem Biol 9: 1323-8 (2002)
Article DOI: 10.1016/S1074-5521(02)00281-8
BindingDB Entry DOI: 10.7270/Q2736P9D |
More data for this
Ligand-Target Pair | |
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1
(Saccharomyces cerevisiae (Baker's yeast)) | BDBM43862
(2-(aminocarbonylamino)-N-[4-[(4-methoxyphenyl)sulf...)Show SMILES COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(CCSC)NC(N)=O)cc2)cc1 Show InChI InChI=1S/C19H24N4O5S2/c1-28-15-7-3-14(4-8-15)23-30(26,27)16-9-5-13(6-10-16)21-18(24)17(11-12-29-2)22-19(20)25/h3-10,17,23H,11-12H2,1-2H3,(H,21,24)(H3,20,22,25) | PDB
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| 3.40E+4 | -23.4 | n/a | n/a | n/a | n/a | n/a | 7.5 | 0 |
Massachusetts Institute of Technology
| Assay Description
Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le... |
Chem Biol 9: 1323-8 (2002)
Article DOI: 10.1016/S1074-5521(02)00281-8
BindingDB Entry DOI: 10.7270/Q2736P9D |
More data for this
Ligand-Target Pair | |
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1
(Saccharomyces cerevisiae (Baker's yeast)) | BDBM43859
(2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfany...)Show InChI InChI=1S/C15H15N5O3S/c1-10-7-13(19-23-10)17-14(21)8-24-15-18-16-9-20(15)11-3-5-12(22-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,17,19,21) | PDB
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| 1.00E+5 | -20.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 0 |
Massachusetts Institute of Technology
| Assay Description
Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le... |
Chem Biol 9: 1323-8 (2002)
Article DOI: 10.1016/S1074-5521(02)00281-8
BindingDB Entry DOI: 10.7270/Q2736P9D |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591075
(CHEMBL5200118)Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(CCS(C)(=O)=O)c3)c2n1 |r| | PDB
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| Article
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591046
(CHEMBL5202342)Show SMILES Brc1nn(-c2ccc3ncccc3c2)c2nc(Nc3cnn(c3)C3CCNCC3)ncc12 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591045
(CHEMBL5209076)Show SMILES Clc1nn(-c2ccc3ncccc3c2)c2nc(Nc3cnn(c3)C3CCNCC3)ncc12 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591066
(CHEMBL5190023)Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591054
(CHEMBL5179922)Show SMILES COCCNC(=O)[C@@H]1CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1 |r| | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50545768
(CHEMBL4641127)Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCNC(C)=O)C1 |r| Show InChI InChI=1S/C26H33Cl2N7O/c1-16-25-26(35(32-16)17(2)22-7-6-21(27)11-23(22)28)31-24(12-30-25)34-14-20(15-34)19-5-4-9-33(13-19)10-8-29-18(3)36/h6-7,11-12,17,19-20H,4-5,8-10,13-15H2,1-3H3,(H,29,36)/t17-,19+/m1/s1 | UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
RAPT Therapeutics
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv... |
J Med Chem 63: 8584-8607 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50545779
(CHEMBL4642563)Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C(N)=O)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r| Show InChI InChI=1S/C24H29Cl2N7O2/c1-14(18-5-4-17(25)9-19(18)26)33-24-22(21(30-33)23(27)35)28-10-20(29-24)32-12-16(13-32)15-3-2-6-31(11-15)7-8-34/h4-5,9-10,14-16,34H,2-3,6-8,11-13H2,1H3,(H2,27,35)/t14-,15+/m1/s1 | UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
RAPT Therapeutics
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv... |
J Med Chem 63: 8584-8607 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6 |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591070
(CHEMBL5208600)Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(F)c3)c2n1 |r| | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591079
(CHEMBL5196751)Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(c3)C#N)c2n1 |r| | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50545782
(CHEMBL4637695)Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C(=O)N(C)C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r| Show InChI InChI=1S/C26H33Cl2N7O2/c1-16(20-7-6-19(27)11-21(20)28)35-25-23(24(31-35)26(37)32(2)3)29-12-22(30-25)34-14-18(15-34)17-5-4-8-33(13-17)9-10-36/h6-7,11-12,16-18,36H,4-5,8-10,13-15H2,1-3H3/t16-,17+/m1/s1 | UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
RAPT Therapeutics
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv... |
J Med Chem 63: 8584-8607 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6 |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591075
(CHEMBL5200118)Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(CCS(C)(=O)=O)c3)c2n1 |r| | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591081
(CHEMBL5193210)Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(CCC#N)c3)c2n1 |r| | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591044
(CHEMBL5202445)Show SMILES Cc1nn(-c2ccc3ncccc3c2)c2nc(Nc3cnn(c3)C3CCNCC3)ncc12 | PDB
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| PC cid
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UniChem
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591077
(CHEMBL5201930)Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(CCN)c3)c2n1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
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UniChem
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591065
(CHEMBL5170361)Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)o3)c2n1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591065
(CHEMBL5170361)Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)o3)c2n1 |r| | PDB
MMDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591072
(CHEMBL5172690)Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(CCO)c3)c2n1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591066
(CHEMBL5190023)Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591064
(CHEMBL5199369)Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50545769
(CHEMBL4645325)Show SMILES CC(C)C(=O)NCCN1CCC[C@@H](C1)C1CN(C1)c1cnc2c(C)nn([C@H](C)c3ccc(Cl)cc3Cl)c2n1 |r| Show InChI InChI=1S/C28H37Cl2N7O/c1-17(2)28(38)31-9-11-35-10-5-6-20(14-35)21-15-36(16-21)25-13-32-26-18(3)34-37(27(26)33-25)19(4)23-8-7-22(29)12-24(23)30/h7-8,12-13,17,19-21H,5-6,9-11,14-16H2,1-4H3,(H,31,38)/t19-,20+/m1/s1 | UniProtKB/SwissProt
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RAPT Therapeutics
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv... |
J Med Chem 63: 8584-8607 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6 |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591054
(CHEMBL5179922)Show SMILES COCCNC(=O)[C@@H]1CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1 |r| | PDB
MMDB
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UniChem
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591063
(CHEMBL5180017)Show SMILES CNC(=O)[C@@H]1CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591059
(CHEMBL5195519)Show SMILES Brc1nn(-c2ccc3ncccc3c2)c2nc(N[C@@H]3CC[C@H](C3)c3ncc[nH]3)ncc12 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591064
(CHEMBL5199369)Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1 |r| | PDB
MMDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50545771
(CHEMBL4639600)Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(Cc2cnc[nH]2)C1 |r| Show InChI InChI=1S/C26H27Cl2N9/c1-16(21-5-4-19(27)7-22(21)28)37-26-25(23(8-29)34-37)31-10-24(33-26)36-12-18(13-36)17-3-2-6-35(11-17)14-20-9-30-15-32-20/h4-5,7,9-10,15-18H,2-3,6,11-14H2,1H3,(H,30,32)/t16-,17+/m1/s1 | UniProtKB/SwissProt
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RAPT Therapeutics
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv... |
J Med Chem 63: 8584-8607 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50545778
(CHEMBL4637143)Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r| Show InChI InChI=1S/C24H27Cl2N7O/c1-15(19-5-4-18(25)9-20(19)26)33-24-23(21(10-27)30-33)28-11-22(29-24)32-13-17(14-32)16-3-2-6-31(12-16)7-8-34/h4-5,9,11,15-17,34H,2-3,6-8,12-14H2,1H3/t15-,16+/m1/s1 | UniProtKB/SwissProt
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
RAPT Therapeutics
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv... |
J Med Chem 63: 8584-8607 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50545762
(CHEMBL4647117)Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCCS(C)(=O)=O)C1 |r| Show InChI InChI=1S/C26H34Cl2N6O2S/c1-17-25-26(34(31-17)18(2)22-8-7-21(27)12-23(22)28)30-24(13-29-25)33-15-20(16-33)19-6-4-9-32(14-19)10-5-11-37(3,35)36/h7-8,12-13,18-20H,4-6,9-11,14-16H2,1-3H3/t18-,19+/m1/s1 | UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
RAPT Therapeutics
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv... |
J Med Chem 63: 8584-8607 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6 |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591043
(CHEMBL5199283)Show SMILES CCn1cc(Nc2ncc3c(C)nn(-c4ccc5ncccc5c4)c3n2)cn1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM374633
(6-((3R,4S)-4-(Azepan-1-yl)-3-methylpiperidin-1-yl)...)Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCCCCC1 |r| Show InChI InChI=1S/C26H34Cl2N6/c1-17-16-33(13-10-23(17)32-11-6-4-5-7-12-32)24-15-29-25-18(2)31-34(26(25)30-24)19(3)21-9-8-20(27)14-22(21)28/h8-9,14-15,17,19,23H,4-7,10-13,16H2,1-3H3/t17-,19-,23+/m1/s1 | UniProtKB/SwissProt
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RAPT Therapeutics
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv... |
J Med Chem 62: 6190-6213 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50545770
(CHEMBL4641595)Show SMILES COC(=O)NCCN1CCC[C@@H](C1)C1CN(C1)c1cnc2c(C)nn([C@H](C)c3ccc(Cl)cc3Cl)c2n1 |r| Show InChI InChI=1S/C26H33Cl2N7O2/c1-16-24-25(35(32-16)17(2)21-7-6-20(27)11-22(21)28)31-23(12-30-24)34-14-19(15-34)18-5-4-9-33(13-18)10-8-29-26(36)37-3/h6-7,11-12,17-19H,4-5,8-10,13-15H2,1-3H3,(H,29,36)/t17-,18+/m1/s1 | UniProtKB/SwissProt
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UniChem
| Article
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
RAPT Therapeutics
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv... |
J Med Chem 63: 8584-8607 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50545777
(CHEMBL4634054)Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r| Show InChI InChI=1S/C24H30Cl2N6O/c1-15-23-24(32(29-15)16(2)20-6-5-19(25)10-21(20)26)28-22(11-27-23)31-13-18(14-31)17-4-3-7-30(12-17)8-9-33/h5-6,10-11,16-18,33H,3-4,7-9,12-14H2,1-2H3/t16-,17+/m1/s1 | UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
RAPT Therapeutics
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv... |
J Med Chem 63: 8584-8607 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6 |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591072
(CHEMBL5172690)Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(CCO)c3)c2n1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| PC cid
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UniChem
| Article
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591063
(CHEMBL5180017)Show SMILES CNC(=O)[C@@H]1CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50545781
(CHEMBL4633133)Show SMILES CNC(=O)c1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(cnc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r| Show InChI InChI=1S/C25H31Cl2N7O2/c1-15(19-6-5-18(26)10-20(19)27)34-24-22(23(31-34)25(36)28-2)29-11-21(30-24)33-13-17(14-33)16-4-3-7-32(12-16)8-9-35/h5-6,10-11,15-17,35H,3-4,7-9,12-14H2,1-2H3,(H,28,36)/t15-,16+/m1/s1 | UniProtKB/SwissProt
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UniChem
| Article
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
RAPT Therapeutics
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv... |
J Med Chem 63: 8584-8607 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM374652
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((3R,4S)-4-(...)Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C25H29Cl2N7O/c1-15-13-32(9-7-22(15)33-8-3-4-18(33)14-35)23-12-29-24-21(11-28)31-34(25(24)30-23)16(2)19-6-5-17(26)10-20(19)27/h5-6,10,12,15-16,18,22,35H,3-4,7-9,13-14H2,1-2H3/t15-,16-,18+,22+/m1/s1 | UniProtKB/SwissProt
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UniChem
| Article
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
RAPT Therapeutics
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv... |
J Med Chem 62: 6190-6213 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591067
(CHEMBL5201758)Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3cnc(C)s3)c2n1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50545773
(CHEMBL4633494)Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCC#N)C1 |r| Show InChI InChI=1S/C25H26Cl2N8/c1-16(20-6-5-19(26)10-21(20)27)35-25-24(22(11-29)32-35)30-12-23(31-25)34-14-18(15-34)17-4-2-8-33(13-17)9-3-7-28/h5-6,10,12,16-18H,2-4,8-9,13-15H2,1H3/t16-,17+/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
RAPT Therapeutics
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv... |
J Med Chem 63: 8584-8607 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6 |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591078
(CHEMBL5195933)Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(CCN(C)C)c3)c2n1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
eIF-2-alpha kinase GCN2
(Homo sapiens (Human)) | BDBM50591081
(CHEMBL5193210)Show SMILES CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(-c4nnc(C)s4)c(CCC#N)c3)c2n1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI: 10.7270/Q27H1PJS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50545759
(CHEMBL4647188)Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCNS(C)(=O)=O)C1 |r| Show InChI InChI=1S/C25H33Cl2N7O2S/c1-16-24-25(34(31-16)17(2)21-7-6-20(26)11-22(21)27)30-23(12-28-24)33-14-19(15-33)18-5-4-9-32(13-18)10-8-29-37(3,35)36/h6-7,11-12,17-19,29H,4-5,8-10,13-15H2,1-3H3/t17-,18+/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
RAPT Therapeutics
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv... |
J Med Chem 63: 8584-8607 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50545760
(CHEMBL4636749)Show SMILES CC(C)S(=O)(=O)NCCN1CCC[C@@H](C1)C1CN(C1)c1cnc2c(C)nn([C@H](C)c3ccc(Cl)cc3Cl)c2n1 |r| Show InChI InChI=1S/C27H37Cl2N7O2S/c1-17(2)39(37,38)31-9-11-34-10-5-6-20(14-34)21-15-35(16-21)25-13-30-26-18(3)33-36(27(26)32-25)19(4)23-8-7-22(28)12-24(23)29/h7-8,12-13,17,19-21,31H,5-6,9-11,14-16H2,1-4H3/t19-,20+/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
RAPT Therapeutics
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv... |
J Med Chem 63: 8584-8607 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM374650
(((S)-1-((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl)et...)Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C25H32Cl2N6O/c1-15-13-31(10-8-22(15)32-9-4-5-19(32)14-34)23-12-28-24-16(2)30-33(25(24)29-23)17(3)20-7-6-18(26)11-21(20)27/h6-7,11-12,15,17,19,22,34H,4-5,8-10,13-14H2,1-3H3/t15-,17-,19+,22+/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
RAPT Therapeutics
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv... |
J Med Chem 62: 6190-6213 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP |
More data for this
Ligand-Target Pair | |
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