Found 399 hits with Last Name = 'lee' and Initial = 'ph' 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 |
|---|
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Company
Curated by PDSP Ki Database
| |
Mol Pharmacol 31: 326-33 (1987)
BindingDB Entry DOI: 10.7270/Q279435W |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Company
Curated by PDSP Ki Database
| |
Mol Pharmacol 31: 326-33 (1987)
BindingDB Entry DOI: 10.7270/Q279435W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Company
Curated by PDSP Ki Database
| |
Mol Pharmacol 31: 326-33 (1987)
BindingDB Entry DOI: 10.7270/Q279435W |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21025
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Company
Curated by PDSP Ki Database
| |
Mol Pharmacol 31: 326-33 (1987)
BindingDB Entry DOI: 10.7270/Q279435W |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21025
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Company
Curated by PDSP Ki Database
| |
Mol Pharmacol 31: 326-33 (1987)
BindingDB Entry DOI: 10.7270/Q279435W |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50209301
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C28H37N5O5/c1-17(2)24(25(30)35)32-26(36)22(16-18-7-4-3-5-8-18)31-27(37)23-9-6-14-33(23)28(38)21(29)15-19-10-12-20(34)13-11-19/h3-5,7-8,10-13,17,21-24,34H,6,9,14-16,29H2,1-2H3,(H2,30,35)(H,31,37)(H,32,36)/t21-,22-,23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 16.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Company
Curated by PDSP Ki Database
| |
Mol Pharmacol 31: 326-33 (1987)
BindingDB Entry DOI: 10.7270/Q279435W |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50044896
(CHEMBL162564 | Morphiceptin | Tyr-Pro-D-Phe-Pro-NH...)Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(N)=O Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21?,22-,23?,24?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 34.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Company
Curated by PDSP Ki Database
| |
Mol Pharmacol 31: 326-33 (1987)
BindingDB Entry DOI: 10.7270/Q279435W |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50209301
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C28H37N5O5/c1-17(2)24(25(30)35)32-26(36)22(16-18-7-4-3-5-8-18)31-27(37)23-9-6-14-33(23)28(38)21(29)15-19-10-12-20(34)13-11-19/h3-5,7-8,10-13,17,21-24,34H,6,9,14-16,29H2,1-2H3,(H2,30,35)(H,31,37)(H,32,36)/t21-,22-,23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Company
Curated by PDSP Ki Database
| |
Mol Pharmacol 31: 326-33 (1987)
BindingDB Entry DOI: 10.7270/Q279435W |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50044896
(CHEMBL162564 | Morphiceptin | Tyr-Pro-D-Phe-Pro-NH...)Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(N)=O Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21?,22-,23?,24?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Company
Curated by PDSP Ki Database
| |
Mol Pharmacol 31: 326-33 (1987)
BindingDB Entry DOI: 10.7270/Q279435W |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21008
((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Company
Curated by PDSP Ki Database
| |
Mol Pharmacol 31: 326-33 (1987)
BindingDB Entry DOI: 10.7270/Q279435W |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM82064
(CAS_79805-24-6 | NSC_16219643 | beta-Casomorphin)Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(N)=O Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Company
Curated by PDSP Ki Database
| |
Mol Pharmacol 31: 326-33 (1987)
BindingDB Entry DOI: 10.7270/Q279435W |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM138204
(US8871778, 161)Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)nc(Cl)c3c2)n1 Show InChI InChI=1S/C20H21ClN8O/c1-12-13(8-28-10-15(30)11-28)9-29(25-12)18-5-6-22-20(24-18)23-14-3-4-17-16(7-14)19(21)26-27(17)2/h3-7,9,15,30H,8,10-11H2,1-2H3,(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM138201
(US8871778, 144)Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)cc(Cl)c3c2)n1 Show InChI InChI=1S/C21H22ClN7O/c1-13-14(8-28-10-16(30)11-28)9-29(26-13)20-5-6-23-21(25-20)24-15-3-4-19-17(7-15)18(22)12-27(19)2/h3-7,9,12,16,30H,8,10-11H2,1-2H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM138210
(US8871778, 189)Show SMILES Cc1nn(cc1CN1CC[C@@H](O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1 |r| Show InChI InChI=1S/C23H26ClN7O/c1-14-16(11-30-9-7-18(32)13-30)12-31(28-14)21-6-8-25-23(27-21)26-17-4-5-20-19(10-17)22(24)15(2)29(20)3/h4-6,8,10,12,18,32H,7,9,11,13H2,1-3H3,(H,25,26,27)/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM138200
(US8871778, 141)Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1 Show InChI InChI=1S/C22H24ClN7O/c1-13-15(9-29-11-17(31)12-29)10-30(27-13)20-6-7-24-22(26-20)25-16-4-5-19-18(8-16)21(23)14(2)28(19)3/h4-8,10,17,31H,9,11-12H2,1-3H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124868
(CHEMBL3622958)Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(C)c3c2)n1 Show InChI InChI=1S/C23H27N7O/c1-14-16(3)28(4)21-6-5-18(9-20(14)21)25-23-24-8-7-22(26-23)30-11-17(15(2)27-30)10-29-12-19(31)13-29/h5-9,11,19,31H,10,12-13H2,1-4H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124761
(CHEMBL3622935)Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-n2cc(CN3CC(O)C3)c(c2)C2CC2)c1 Show InChI InChI=1S/C23H27N5O/c1-15-7-16(2)9-19(8-15)25-23-24-6-5-22(26-23)28-11-18(10-27-12-20(29)13-27)21(14-28)17-3-4-17/h5-9,11,14,17,20,29H,3-4,10,12-13H2,1-2H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124705
(CHEMBL3622924)Show SMILES Cc1cn(cc1CN1CC[C@@H](O)C1)-c1ccnc(Nc2cc(C)cc(C)c2)n1 |r| Show InChI InChI=1S/C22H27N5O/c1-15-8-16(2)10-19(9-15)24-22-23-6-4-21(25-22)27-11-17(3)18(13-27)12-26-7-5-20(28)14-26/h4,6,8-11,13,20,28H,5,7,12,14H2,1-3H3,(H,23,24,25)/t20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124709
(CHEMBL3622928)Show SMILES Cc1nn(cc1CN1CC[C@@H](O)C1)-c1ccnc(Nc2cc(C)cc(C)c2)n1 |r| Show InChI InChI=1S/C21H26N6O/c1-14-8-15(2)10-18(9-14)23-21-22-6-4-20(24-21)27-12-17(16(3)25-27)11-26-7-5-19(28)13-26/h4,6,8-10,12,19,28H,5,7,11,13H2,1-3H3,(H,22,23,24)/t19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124756
(CHEMBL3622934)Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-n2cc(CN3CC[C@@H](O)C3)c(c2)C2CC2)c1 |r| Show InChI InChI=1S/C24H29N5O/c1-16-9-17(2)11-20(10-16)26-24-25-7-5-23(27-24)29-13-19(22(15-29)18-3-4-18)12-28-8-6-21(30)14-28/h5,7,9-11,13,15,18,21,30H,3-4,6,8,12,14H2,1-2H3,(H,25,26,27)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM179403
(US9126973, 8)Show SMILES Fc1cccc(c1)-c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1 Show InChI InChI=1S/C19H13FN4/c20-16-8-4-7-14(9-16)19-23-12-17(24-19)15-10-21-18(22-11-15)13-5-2-1-3-6-13/h1-12H,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | 8.0 | 25 |
CAYMAN CHEMICAL COMPANY, INCORPORATED
US Patent
| Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,... |
US Patent US9126973 (2015)
BindingDB Entry DOI: 10.7270/Q2930RZ3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124765
(CHEMBL3622938)Show SMILES Cc1cn(cc1CN1CC(O)C1)-c1ccnc(Nc2cc(C)c(OCCO)c(C)c2)n1 Show InChI InChI=1S/C23H29N5O3/c1-15-8-19(9-16(2)22(15)31-7-6-29)25-23-24-5-4-21(26-23)28-10-17(3)18(12-28)11-27-13-20(30)14-27/h4-5,8-10,12,20,29-30H,6-7,11,13-14H2,1-3H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124707
(CHEMBL3622926)Show SMILES Cc1cn(cc1CN1CC(O)C1)-c1ccnc(Nc2cc(C)cc(C)c2)n1 Show InChI InChI=1S/C21H25N5O/c1-14-6-15(2)8-18(7-14)23-21-22-5-4-20(24-21)26-9-16(3)17(11-26)10-25-12-19(27)13-25/h4-9,11,19,27H,10,12-13H2,1-3H3,(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124807
(CHEMBL3622944)Show SMILES COc1c(C)cc(Nc2nccc(n2)-n2cc(C)c(CN3CC(O)C3)c2)cc1C Show InChI InChI=1S/C22H27N5O2/c1-14-7-18(8-15(2)21(14)29-4)24-22-23-6-5-20(25-22)27-9-16(3)17(11-27)10-26-12-19(28)13-26/h5-9,11,19,28H,10,12-13H2,1-4H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM179422
(US9126973, 19)Show SMILES C(N1CCC(CC1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H25N5/c1-3-7-19(8-4-1)18-30-13-11-21(12-14-30)25-28-17-23(29-25)22-15-26-24(27-16-22)20-9-5-2-6-10-20/h1-10,15-17,21H,11-14,18H2,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | 8.0 | 25 |
CAYMAN CHEMICAL COMPANY, INCORPORATED
US Patent
| Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,... |
US Patent US9126973 (2015)
BindingDB Entry DOI: 10.7270/Q2930RZ3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124711
(CHEMBL3622930)Show InChI InChI=1S/C20H25N5/c1-14-8-15(2)10-18(9-14)22-20-21-7-6-19(23-20)25-11-16(3)17(13-25)12-24(4)5/h6-11,13H,12H2,1-5H3,(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124816
(CHEMBL3622945)Show SMILES Cc1cn(cc1CN1CC(O)C1)-c1ccnc(Nc2cc(C)c(OS(C)(=O)=O)c(C)c2)n1 Show InChI InChI=1S/C22H27N5O4S/c1-14-7-18(8-15(2)21(14)31-32(4,29)30)24-22-23-6-5-20(25-22)27-9-16(3)17(11-27)10-26-12-19(28)13-26/h5-9,11,19,28H,10,12-13H2,1-4H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124771
(CHEMBL3622940)Show SMILES Cc1cn(cc1CN1CC(O)C1)-c1ccnc(Nc2cc(C)c(OCC(=O)N3CCCC3)c(C)c2)n1 Show InChI InChI=1S/C27H34N6O3/c1-18-10-22(11-19(2)26(18)36-17-25(35)32-8-4-5-9-32)29-27-28-7-6-24(30-27)33-12-20(3)21(14-33)13-31-15-23(34)16-31/h6-7,10-12,14,23,34H,4-5,8-9,13,15-17H2,1-3H3,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124710
(CHEMBL3622929)Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2cc(C)cc(C)c2)n1 Show InChI InChI=1S/C20H24N6O/c1-13-6-14(2)8-17(7-13)22-20-21-5-4-19(23-20)26-10-16(15(3)24-26)9-25-11-18(27)12-25/h4-8,10,18,27H,9,11-12H2,1-3H3,(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124839
(CHEMBL3622946)Show SMILES Cc1cn(cc1CN1CC[C@@H](O)C1)-c1ccnc(Nc2cc(C)c(OS(C)(=O)=O)c(C)c2)n1 |r| Show InChI InChI=1S/C23H29N5O4S/c1-15-9-19(10-16(2)22(15)32-33(4,30)31)25-23-24-7-5-21(26-23)28-11-17(3)18(13-28)12-27-8-6-20(29)14-27/h5,7,9-11,13,20,29H,6,8,12,14H2,1-4H3,(H,24,25,26)/t20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124869
(CHEMBL3622960)Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(ncc3c2)C2CC2)n1 Show InChI InChI=1S/C22H24N8O/c1-14-16(10-28-12-19(31)13-28)11-29(27-14)21-6-7-23-22(26-21)25-17-2-5-20-15(8-17)9-24-30(20)18-3-4-18/h2,5-9,11,18-19,31H,3-4,10,12-13H2,1H3,(H,23,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124806
(CHEMBL3622943)Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2cc(C)c(OCCN3CCCC3)c(C)c2)n1 Show InChI InChI=1S/C26H35N7O2/c1-18-12-22(13-19(2)25(18)35-11-10-31-8-4-5-9-31)28-26-27-7-6-24(29-26)33-15-21(20(3)30-33)14-32-16-23(34)17-32/h6-7,12-13,15,23,34H,4-5,8-11,14,16-17H2,1-3H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124866
(CHEMBL3622953)Show SMILES CCn1ccc2cc(Nc3nccc(n3)-n3cc(CN4CC(O)C4)c(n3)C3CC3)ccc12 Show InChI InChI=1S/C24H27N7O/c1-2-30-10-8-17-11-19(5-6-21(17)30)26-24-25-9-7-22(27-24)31-13-18(12-29-14-20(32)15-29)23(28-31)16-3-4-16/h5-11,13,16,20,32H,2-4,12,14-15H2,1H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124781
(CHEMBL3622942)Show SMILES Cc1cn(cc1CN1CC(O)C1)-c1ccnc(Nc2cc(C)c(OCCN3CCCC3)c(C)c2)n1 Show InChI InChI=1S/C27H36N6O2/c1-19-12-23(13-20(2)26(19)35-11-10-31-8-4-5-9-31)29-27-28-7-6-25(30-27)33-14-21(3)22(16-33)15-32-17-24(34)18-32/h6-7,12-14,16,24,34H,4-5,8-11,15,17-18H2,1-3H3,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM179375
(US9126973, 1)Show InChI InChI=1S/C19H14N4/c1-3-7-14(8-4-1)18-20-11-16(12-21-18)17-13-22-19(23-17)15-9-5-2-6-10-15/h1-13H,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | 8.0 | 25 |
CAYMAN CHEMICAL COMPANY, INCORPORATED
US Patent
| Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,... |
US Patent US9126973 (2015)
BindingDB Entry DOI: 10.7270/Q2930RZ3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124763
(CHEMBL3622936)Show SMILES Cc1cn(cc1CN1CC[C@@H](N)C1)-c1ccnc(Nc2cc(C)cc(C)c2)n1 |r| Show InChI InChI=1S/C22H28N6/c1-15-8-16(2)10-20(9-15)25-22-24-6-4-21(26-22)28-11-17(3)18(13-28)12-27-7-5-19(23)14-27/h4,6,8-11,13,19H,5,7,12,14,23H2,1-3H3,(H,24,25,26)/t19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124778
(CHEMBL3622941)Show SMILES Cc1cn(cc1CN1CC[C@@H](O)C1)-c1ccnc(Nc2cc(C)c(OCC(=O)N3CCCC3)c(C)c2)n1 |r| Show InChI InChI=1S/C28H36N6O3/c1-19-12-23(13-20(2)27(19)37-18-26(36)33-9-4-5-10-33)30-28-29-8-6-25(31-28)34-14-21(3)22(16-34)15-32-11-7-24(35)17-32/h6,8,12-14,16,24,35H,4-5,7,9-11,15,17-18H2,1-3H3,(H,29,30,31)/t24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124769
(CHEMBL3622939)Show SMILES Cc1cn(cc1CN1CC[C@@H](O)C1)-c1ccnc(Nc2cc(C)c(OCCO)c(C)c2)n1 |r| Show InChI InChI=1S/C24H31N5O3/c1-16-10-20(11-17(2)23(16)32-9-8-30)26-24-25-6-4-22(27-24)29-12-18(3)19(14-29)13-28-7-5-21(31)15-28/h4,6,10-12,14,21,30-31H,5,7-9,13,15H2,1-3H3,(H,25,26,27)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124764
(CHEMBL3622937)Show SMILES Cc1cn(cc1CN1CC[C@@H](C1)C(O)=O)-c1ccnc(Nc2cc(C)cc(C)c2)n1 |r| Show InChI InChI=1S/C23H27N5O2/c1-15-8-16(2)10-20(9-15)25-23-24-6-4-21(26-23)28-11-17(3)19(14-28)13-27-7-5-18(12-27)22(29)30/h4,6,8-11,14,18H,5,7,12-13H2,1-3H3,(H,29,30)(H,24,25,26)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124865
(CHEMBL3622951)Show SMILES CN1CCc2cc(Nc3nccc(n3)-n3cc(CN4CC(O)C4)c(C)n3)ccc12 Show InChI InChI=1S/C21H25N7O/c1-14-16(10-27-12-18(29)13-27)11-28(25-14)20-5-7-22-21(24-20)23-17-3-4-19-15(9-17)6-8-26(19)2/h3-5,7,9,11,18,29H,6,8,10,12-13H2,1-2H3,(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM138203
(US8871778, 160)Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)ncc3c2)n1 Show InChI InChI=1S/C20H22N8O/c1-13-15(9-27-11-17(29)12-27)10-28(25-13)19-5-6-21-20(24-19)23-16-3-4-18-14(7-16)8-22-26(18)2/h3-8,10,17,29H,9,11-12H2,1-2H3,(H,21,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM179408
(US9126973, 10)Show InChI InChI=1S/C18H13N5/c1-2-5-13(6-3-1)17-20-10-15(11-21-17)16-12-22-18(23-16)14-7-4-8-19-9-14/h1-12H,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | 8.0 | 25 |
CAYMAN CHEMICAL COMPANY, INCORPORATED
US Patent
| Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,... |
US Patent US9126973 (2015)
BindingDB Entry DOI: 10.7270/Q2930RZ3 |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM179418
(US9126973, 15)Show SMILES C(=C/c1cccnc1)\c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1 Show InChI InChI=1S/C20H15N5/c1-2-6-16(7-3-1)20-23-12-17(13-24-20)18-14-22-19(25-18)9-8-15-5-4-10-21-11-15/h1-14H,(H,22,25)/b9-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | 8.0 | 25 |
CAYMAN CHEMICAL COMPANY, INCORPORATED
US Patent
| Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,... |
US Patent US9126973 (2015)
BindingDB Entry DOI: 10.7270/Q2930RZ3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124867
(CHEMBL3622954)Show SMILES CCn1ccc2cc(Nc3nccc(n3)-n3cc(CN4CC(O)C4)c(C)n3)ccc12 Show InChI InChI=1S/C22H25N7O/c1-3-28-9-7-16-10-18(4-5-20(16)28)24-22-23-8-6-21(25-22)29-12-17(15(2)26-29)11-27-13-19(30)14-27/h4-10,12,19,30H,3,11,13-14H2,1-2H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM138221
(US8871778, 52)Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)ccc3c2)n1 Show InChI InChI=1S/C21H23N7O/c1-14-16(10-27-12-18(29)13-27)11-28(25-14)20-5-7-22-21(24-20)23-17-3-4-19-15(9-17)6-8-26(19)2/h3-9,11,18,29H,10,12-13H2,1-2H3,(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM138200
(US8871778, 141)Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1 Show InChI InChI=1S/C22H24ClN7O/c1-13-15(9-29-11-17(31)12-29)10-30(27-13)20-6-7-24-22(26-20)25-16-4-5-19-18(8-16)21(23)14(2)28(19)3/h4-8,10,17,31H,9,11-12H2,1-3H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of SYK-mediated TNFalpha production in human IgG-stimulated human THP1 cells incubated for 18 hrs by ELISA method |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124708
(CHEMBL3622927)Show SMILES COc1cc(Nc2nccc(n2)-n2cc(C)c(CN3CC(O)C3)c2)cc(OC)c1OC Show InChI InChI=1S/C22H27N5O4/c1-14-9-27(11-15(14)10-26-12-17(28)13-26)20-5-6-23-22(25-20)24-16-7-18(29-2)21(31-4)19(8-16)30-3/h5-9,11,17,28H,10,12-13H2,1-4H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50124713
(CHEMBL3622932)Show SMILES Cc1nn(cc1CN1CCC(O)CC1)-c1ccnc(Nc2cc(C)cc(C)c2)n1 Show InChI InChI=1S/C22H28N6O/c1-15-10-16(2)12-19(11-15)24-22-23-7-4-21(25-22)28-14-18(17(3)26-28)13-27-8-5-20(29)6-9-27/h4,7,10-12,14,20,29H,5-6,8-9,13H2,1-3H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | 25 |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1... |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM179409
(US9126973, 11)Show SMILES Fc1cccc(c1)-c1ncc(cn1)-c1cnc([nH]1)-c1cccnc1 Show InChI InChI=1S/C18H12FN5/c19-15-5-1-3-12(7-15)17-21-9-14(10-22-17)16-11-23-18(24-16)13-4-2-6-20-8-13/h1-11H,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | 8.0 | 25 |
CAYMAN CHEMICAL COMPANY, INCORPORATED
US Patent
| Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,... |
US Patent US9126973 (2015)
BindingDB Entry DOI: 10.7270/Q2930RZ3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM138210
(US8871778, 189)Show SMILES Cc1nn(cc1CN1CC[C@@H](O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1 |r| Show InChI InChI=1S/C23H26ClN7O/c1-14-16(11-30-9-7-18(32)13-30)12-31(28-14)21-6-8-25-23(27-21)26-17-4-5-20-19(10-17)22(24)15(2)29(20)3/h4-6,8,10,12,18,32H,7,9,11,13H2,1-3H3,(H,25,26,27)/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Kangwon National University
Curated by ChEMBL
| Assay Description
Inhibition of SYK-mediated TNFalpha production in human IgG-stimulated human THP1 cells incubated for 18 hrs by ELISA method |
Bioorg Med Chem Lett 25: 4441-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.011
BindingDB Entry DOI: 10.7270/Q22Z17BN |
More data for this
Ligand-Target Pair | |
Search and Browse
