Found 736 hits with Last Name = 'zumbrunn' and Initial = 'c' 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 |
|---|
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50293232
(2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimeth...)Show SMILES CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cnc(C)cn1 Show InChI InChI=1S/C25H30ClN5O5S/c1-7-30(24-15-27-17(2)14-28-24)25(32)16-31(21-12-18(29(3)4)8-10-20(21)26)37(33,34)19-9-11-22(35-5)23(13-19)36-6/h8-15H,7,16H2,1-6H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50293234
(2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimeth...)Show SMILES CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cc(C)n(C)n1 Show InChI InChI=1S/C25H32ClN5O5S/c1-8-30(24-13-17(2)29(5)27-24)25(32)16-31(21-14-18(28(3)4)9-11-20(21)26)37(33,34)19-10-12-22(35-6)23(15-19)36-7/h9-15H,8,16H2,1-7H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50293222
(2-(N-(2-cyano-4-methylphenyl)-3,4-dimethoxyphenyls...)Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1C#N)S(=O)(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H27N3O5S/c1-6-24(7-2)22(26)15-25(19-10-8-16(3)12-17(19)14-23)31(27,28)18-9-11-20(29-4)21(13-18)30-5/h8-13H,6-7,15H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50293230
(2-(N-(6-chloro-3-methylbenzo[d]isothiazol-5-yl)-3,...)Show SMILES CCN(CC)C(=O)CN(c1cc2c(C)nsc2cc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H26ClN3O5S2/c1-6-25(7-2)22(27)13-26(18-11-16-14(3)24-32-21(16)12-17(18)23)33(28,29)15-8-9-19(30-4)20(10-15)31-5/h8-12H,6-7,13H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50292965
(2-(4-tert-butyl-N-p-tolylphenylsulfonamido)-N,N-di...)Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H32N2O3S/c1-7-24(8-2)22(26)17-25(20-13-9-18(3)10-14-20)29(27,28)21-15-11-19(12-16-21)23(4,5)6/h9-16H,7-8,17H2,1-6H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50293231
(2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimeth...)Show SMILES CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cccc(C)n1 Show InChI InChI=1S/C26H31ClN4O5S/c1-7-30(25-10-8-9-18(2)28-25)26(32)17-31(22-15-19(29(3)4)11-13-21(22)27)37(33,34)20-12-14-23(35-5)24(16-20)36-6/h8-16H,7,17H2,1-6H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50293232
(2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimeth...)Show SMILES CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cnc(C)cn1 Show InChI InChI=1S/C25H30ClN5O5S/c1-7-30(24-15-27-17(2)14-28-24)25(32)16-31(21-12-18(29(3)4)8-10-20(21)26)37(33,34)19-9-11-22(35-5)23(13-19)36-6/h8-15H,7,16H2,1-6H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX1 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50293235
(2-(N-(6-chloro-3-methylbenzo[d]isothiazol-5-yl)-3,...)Show SMILES CCN(C(=O)CN(c1cc2c(C)nsc2cc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccn1 Show InChI InChI=1S/C25H25ClN4O5S2/c1-5-29(24-8-6-7-11-27-24)25(31)15-30(20-13-18-16(2)28-36-23(18)14-19(20)26)37(32,33)17-9-10-21(34-3)22(12-17)35-4/h6-14H,5,15H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50292976
(2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimeth...)Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H30ClN3O5S/c1-7-25(8-2)22(27)15-26(19-13-16(24(3)4)9-11-18(19)23)32(28,29)17-10-12-20(30-5)21(14-17)31-6/h9-14H,7-8,15H2,1-6H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50293234
(2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimeth...)Show SMILES CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cc(C)n(C)n1 Show InChI InChI=1S/C25H32ClN5O5S/c1-8-30(24-13-17(2)29(5)27-24)25(32)16-31(21-14-18(28(3)4)9-11-20(21)26)37(33,34)19-10-12-22(35-6)23(15-19)36-7/h9-15H,8,16H2,1-7H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX1 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50293236
(2-(N-(6-chloro-3-methylbenzo[d]isothiazol-5-yl)-3,...)Show SMILES CCN(C(=O)CN(c1cc2c(C)nsc2cc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cccc(C)n1 Show InChI InChI=1S/C26H27ClN4O5S2/c1-6-30(25-9-7-8-16(2)28-25)26(32)15-31(21-13-19-17(3)29-37-24(19)14-20(21)27)38(33,34)18-10-11-22(35-4)23(12-18)36-5/h7-14H,6,15H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50293233
(2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimeth...)Show SMILES CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccn(C)n1 Show InChI InChI=1S/C24H30ClN5O5S/c1-7-29(23-12-13-28(4)26-23)24(31)16-30(20-14-17(27(2)3)8-10-19(20)25)36(32,33)18-9-11-21(34-5)22(15-18)35-6/h8-15H,7,16H2,1-6H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50293236
(2-(N-(6-chloro-3-methylbenzo[d]isothiazol-5-yl)-3,...)Show SMILES CCN(C(=O)CN(c1cc2c(C)nsc2cc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cccc(C)n1 Show InChI InChI=1S/C26H27ClN4O5S2/c1-6-30(25-9-7-8-16(2)28-25)26(32)15-31(21-13-19-17(3)29-37-24(19)14-20(21)27)38(33,34)18-10-11-22(35-4)23(12-18)36-5/h7-14H,6,15H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX1 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50293235
(2-(N-(6-chloro-3-methylbenzo[d]isothiazol-5-yl)-3,...)Show SMILES CCN(C(=O)CN(c1cc2c(C)nsc2cc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccn1 Show InChI InChI=1S/C25H25ClN4O5S2/c1-5-29(24-8-6-7-11-27-24)25(31)15-30(20-13-18-16(2)28-36-23(18)14-19(20)26)37(32,33)17-9-10-21(34-3)22(12-17)35-4/h6-14H,5,15H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX1 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50293224
(2-(N-(2-chloro-5-methylphenyl)-3,4-dimethoxyphenyl...)Show SMILES CCN(CC)C(=O)CN(c1cc(C)ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C21H27ClN2O5S/c1-6-23(7-2)21(25)14-24(18-12-15(3)8-10-17(18)22)30(26,27)16-9-11-19(28-4)20(13-16)29-5/h8-13H,6-7,14H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM620313
(US20230295182, Example 1.45 | US20230295182, Examp...)Show SMILES COC1=C(N2C[C@@H](NN2)c2ccc(Cl)c(F)c2F)C(O)=C(CO)O[C@@H]1CC1=NO[C@@]2(C1)CC[C@@H](CC2)NC(=O)OC(C)(C)C |wU:29.31,6.9,24.27,wD:33.40,c:2,t:21,29,(-1.33,-.88,;-2.23,-2.13,;-3.76,-1.97,;-4.39,-.56,;-3.48,.69,;-1.94,.69,;-1.47,2.15,;-2.71,3.06,;-3.96,2.15,;-0,2.63,;1.14,1.6,;2.61,2.07,;2.93,3.58,;4.39,4.05,;1.78,4.61,;2.1,6.11,;.32,4.13,;-.83,5.16,;-5.92,-.4,;-6.55,1.01,;-6.83,-1.65,;-8.36,-1.48,;-9.26,-2.73,;-6.2,-3.05,;-4.67,-3.21,;-4.04,-4.62,;-2.51,-4.78,;-1.74,-6.11,;-.23,-5.79,;-.07,-4.26,;-1.48,-3.64,;-.07,-2.72,;1.26,-1.95,;2.59,-2.72,;2.59,-4.26,;1.26,-5.03,;3.93,-1.95,;5.26,-2.72,;5.26,-4.26,;6.6,-1.95,;7.93,-2.72,;9.26,-1.95,;9.26,-3.49,;7.93,-4.26,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50293216
(2-(N-(2-cyano-5-(dimethylamino)phenyl)-3,4-dimetho...)Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1C#N)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C23H30N4O5S/c1-7-26(8-2)23(28)16-27(20-13-18(25(3)4)10-9-17(20)15-24)33(29,30)19-11-12-21(31-5)22(14-19)32-6/h9-14H,7-8,16H2,1-6H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50293233
(2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimeth...)Show SMILES CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccn(C)n1 Show InChI InChI=1S/C24H30ClN5O5S/c1-7-29(23-12-13-28(4)26-23)24(31)16-30(20-14-17(27(2)3)8-10-19(20)25)36(32,33)18-9-11-21(34-5)22(15-18)35-6/h8-15H,7,16H2,1-6H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX1 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM620309
(US20230295182, Example 1.41 | US20230295182, Examp...)Show SMILES COC1=C(N2C[C@@H](NN2)c2ccc(F)c(F)c2F)C(O)=C(CO)O[C@@H]1CC1=NO[C@@]2(C1)CC[C@@H](CC2)NC(=O)OC(C)(C)C |wU:29.31,6.9,24.27,wD:33.40,c:2,t:21,29,(-1.33,-.88,;-2.23,-2.13,;-3.76,-1.97,;-4.39,-.56,;-3.48,.69,;-1.94,.69,;-1.47,2.15,;-2.71,3.06,;-3.96,2.15,;-0,2.63,;1.14,1.6,;2.61,2.07,;2.93,3.58,;4.39,4.05,;1.78,4.61,;2.1,6.11,;.32,4.13,;-.83,5.16,;-5.92,-.4,;-6.55,1.01,;-6.83,-1.65,;-8.36,-1.48,;-9.26,-2.73,;-6.2,-3.05,;-4.67,-3.21,;-4.04,-4.62,;-2.51,-4.78,;-1.74,-6.11,;-.23,-5.79,;-.07,-4.26,;-1.48,-3.64,;-.07,-2.72,;1.26,-1.95,;2.59,-2.72,;2.59,-4.26,;1.26,-5.03,;3.93,-1.95,;5.26,-2.72,;5.26,-4.26,;6.6,-1.95,;7.93,-2.72,;9.26,-1.95,;9.26,-3.49,;7.93,-4.26,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632517
((2R,3R,4S,5R,6R)-4-(4-(4-chloro-2,3-difluorophenyl...)Show SMILES CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(Cl)c(F)c1F)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 12.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632544
((2R,3R,4S,5R,6R)-2-((3,5-dichlorophenyl)((1S,2S)-2...)Show SMILES CC(=O)O[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(C)c(F)c1)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(Cl)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 12.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632510
((2R,3R,4S,5R,6R)-4-(4-(4-bromo-2,3-difluorophenyl)...)Show SMILES CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(Br)c(F)c1F)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Br)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 13.6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632552
((2R,3R,4S,5R,6R)-4-(4-(4-chloro-3,5-difluorophenyl...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(Cl)c(F)c1)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(Cl)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 14.3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632505
((2R,3R,4S,5R,6R)-N-(3-bromo-5-cyanophenyl)-4-(4-(2...)Show SMILES CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(C)c(F)c1F)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Br)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 14.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM620311
(US20230295182, Example 1.43 | US20230295182, Examp...)Show SMILES COC1=C(N2C[C@@H](NN2)c2ccc(C)c(F)c2F)C(O)=C(CO)O[C@@H]1CC1=NO[C@@]2(C1)CC[C@@H](CC2)NC(=O)OC(C)(C)C |wU:29.31,6.9,24.27,wD:33.40,c:2,t:21,29,(-1.33,-.88,;-2.23,-2.13,;-3.76,-1.97,;-4.39,-.56,;-3.48,.69,;-1.94,.69,;-1.47,2.15,;-2.71,3.06,;-3.96,2.15,;-0,2.63,;1.14,1.6,;2.61,2.07,;2.93,3.58,;4.39,4.05,;1.78,4.61,;2.1,6.11,;.32,4.13,;-.83,5.16,;-5.92,-.4,;-6.55,1.01,;-6.83,-1.65,;-8.36,-1.48,;-9.26,-2.73,;-6.2,-3.05,;-4.67,-3.21,;-4.04,-4.62,;-2.51,-4.78,;-1.74,-6.11,;-.23,-5.79,;-.07,-4.26,;-1.48,-3.64,;-.07,-2.72,;1.26,-1.95,;2.59,-2.72,;2.59,-4.26,;1.26,-5.03,;3.93,-1.95,;5.26,-2.72,;5.26,-4.26,;6.6,-1.95,;7.93,-2.72,;9.26,-1.95,;9.26,-3.49,;7.93,-4.26,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632502
((2R,3R,4S,5R,6R)-N-(3,5-dichlorophenyl)-4-(4-(2,3-...)Show SMILES CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(C)c(F)c1F)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(Cl)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 15.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632547
((2R,3R,4S,5R,6R)-4-(4-(4-chloro-3,5-difluorophenyl...)Show SMILES CC(=O)O[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(Cl)c(F)c1)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 16.4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632478
((2R,3R,4S,5R,6R)-N-(3-bromo-5-cyanophenyl)-4-(4-(3...)Show SMILES CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(C)c(F)c1)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Br)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 16.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM620359
(US20230295182, Example 2.09 | ethyl ((5r,8R)-3-(((...)Show SMILES CCOC(=O)N[C@H]1CC[C@@]2(CC(C[C@H]3O[C@H](CO)[C@H](O)[C@@H]([C@H]3OC)n3cc(nn3)-c3ccc(C)c(F)c3F)=NO2)CC1 |wU:9.42,21.22,13.12,wD:15.15,18.18,20.24,6.5,c:40,(9.26,-1.95,;7.93,-2.72,;6.6,-1.95,;5.26,-2.72,;5.26,-4.26,;3.93,-1.95,;2.59,-2.72,;1.26,-1.95,;-.07,-2.72,;-.07,-4.26,;-1.48,-3.64,;-2.51,-4.78,;-4.04,-4.62,;-4.67,-3.21,;-6.2,-3.05,;-6.83,-1.65,;-8.36,-1.48,;-9.26,-2.73,;-5.92,-.4,;-6.55,1.01,;-4.39,-.56,;-3.76,-1.97,;-2.23,-2.13,;-1.33,-.88,;-3.48,.69,;-1.94,.69,;-1.47,2.15,;-2.71,3.06,;-3.96,2.15,;-0,2.63,;1.14,1.6,;2.61,2.07,;2.93,3.58,;4.39,4.05,;1.78,4.61,;2.1,6.11,;.32,4.13,;-.83,5.16,;-1.74,-6.11,;-.23,-5.79,;1.26,-5.03,;2.59,-4.26,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50293231
(2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimeth...)Show SMILES CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cccc(C)n1 Show InChI InChI=1S/C26H31ClN4O5S/c1-7-30(25-10-8-9-18(2)28-25)26(32)17-31(22-15-19(29(3)4)11-13-21(22)27)37(33,34)20-12-14-23(35-5)24(16-20)36-6/h8-16H,7,17H2,1-6H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX1 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632513
((2R,3R,4S,5R,6R)-N-(3-bromo-5-cyanophenyl)-4-(4-(3...)Show SMILES CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(C)c(F)c1)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Br)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 17.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632606
((2R,3R,4S,5R,6R)-N-(3-bromo-5-cyanophenyl)-4-(4-(2...)Show SMILES CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(C)c(F)c1F)C(=O)N([C@H]1CC[C@@H]1O)c1cc(Br)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 17.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632476
((2R,3R,4S,5R,6R)-N-(3-chloro-5-cyanophenyl)-4-(4-(...)Show SMILES CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(C)c(F)c1)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 17.3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632519
((2R,3R,4S,5R,6R)-N-(3-bromo-5-cyanophenyl)-4-(4-(4...)Show SMILES CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(Cl)c(F)c1F)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Br)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 17.4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM620361
(US20230295182, Example 2.11 | ethyl ((5r,8R)-3-(((...)Show SMILES CCOC(=O)N[C@H]1CC[C@@]2(CC(C[C@H]3O[C@H](CO)[C@H](O)[C@@H]([C@H]3OC)n3cc(nn3)-c3ccc(Cl)c(F)c3F)=NO2)CC1 |wU:9.42,21.22,13.12,wD:15.15,18.18,20.24,6.5,c:40,(9.26,-1.95,;7.93,-2.72,;6.6,-1.95,;5.26,-2.72,;5.26,-4.26,;3.93,-1.95,;2.59,-2.72,;1.26,-1.95,;-.07,-2.72,;-.07,-4.26,;-1.48,-3.64,;-2.51,-4.78,;-4.04,-4.62,;-4.67,-3.21,;-6.2,-3.05,;-6.83,-1.65,;-8.36,-1.48,;-9.26,-2.73,;-5.92,-.4,;-6.55,1.01,;-4.39,-.56,;-3.76,-1.97,;-2.23,-2.13,;-1.33,-.88,;-3.48,.69,;-1.94,.69,;-1.47,2.15,;-2.71,3.06,;-3.96,2.15,;-0,2.63,;1.14,1.6,;2.61,2.07,;2.93,3.58,;4.39,4.05,;1.78,4.61,;2.1,6.11,;.32,4.13,;-.83,5.16,;-1.74,-6.11,;-.23,-5.79,;1.26,-5.03,;2.59,-4.26,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50292977
(2-(3,4-dimethoxy-N-p-tolylphenylsulfonamido)-N,N-d...)Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C21H28N2O5S/c1-6-22(7-2)21(24)15-23(17-10-8-16(3)9-11-17)29(25,26)18-12-13-19(27-4)20(14-18)28-5/h8-14H,6-7,15H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 18: 5729-33 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD |
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632551
((2R,3R,4S,5R,6R)-N-(3-chloro-5-cyanophenyl)-4-(4-(...)Show SMILES Cc1c(F)cc(cc1F)-c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@H]([C@@H]1O)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 19.3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632546
((2R,3R,4S,5R,6R)-4-(4-(4-chloro-3,5-difluorophenyl...)Show SMILES CC(=O)O[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(Cl)c(F)c1)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(Cl)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 19.8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632553
((2R,3R,4S,5R,6R)-4-(4-(4-chloro-3,5-difluorophenyl...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(Cl)c(F)c1)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM620360
(US20230295182, Example 2.10 | ethyl ((5r,8R)-3-(((...)Show SMILES CCOC(=O)N[C@H]1CC[C@@]2(CC(C[C@H]3O[C@H](CO)[C@H](O)[C@@H]([C@H]3OC)n3cc(nn3)-c3ccc(F)c(F)c3F)=NO2)CC1 |wU:9.42,21.22,13.12,wD:20.24,15.15,18.18,6.5,c:40,(9.26,-1.95,;7.93,-2.72,;6.6,-1.95,;5.26,-2.72,;5.26,-4.26,;3.93,-1.95,;2.59,-2.72,;1.26,-1.95,;-.07,-2.72,;-.07,-4.26,;-1.48,-3.64,;-2.51,-4.78,;-4.04,-4.62,;-4.67,-3.21,;-6.2,-3.05,;-6.83,-1.65,;-8.36,-1.48,;-9.26,-2.73,;-5.92,-.4,;-6.55,1.01,;-4.39,-.56,;-3.76,-1.97,;-2.23,-2.13,;-1.33,-.88,;-3.48,.69,;-1.94,.69,;-1.47,2.15,;-2.71,3.06,;-3.96,2.15,;-0,2.63,;1.14,1.6,;2.61,2.07,;2.93,3.58,;4.39,4.05,;1.78,4.61,;2.1,6.11,;.32,4.13,;-.83,5.16,;-1.74,-6.11,;-.23,-5.79,;1.26,-5.03,;2.59,-4.26,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632487
((2R,3R,4S,5R,6R)-N-(3-bromo-5-cyanophenyl)-4-(4-(3...)Show SMILES CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(F)c(Cl)c1)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Br)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 21.2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632511
((2R,3R,4S,5R,6R)-4-(4-(4-bromo-2,3-difluorophenyl)...)Show SMILES CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(Br)c(F)c1F)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(F)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 21.2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632508
((2R,3R,4S,5R,6R)-4-(4-(4-bromo-2,3-difluorophenyl)...)Show SMILES CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(Br)c(F)c1F)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 21.7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632503
((2R,3R,4S,5R,6R)-N-(3-chloro-5-cyanophenyl)-4-(4-(...)Show SMILES CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(C)c(F)c1F)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 21.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632550
((2R,3R,4S,5R,6R)-N-(3,5-dichlorophenyl)-4-(4-(3,5-...)Show SMILES Cc1c(F)cc(cc1F)-c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@H]([C@@H]1O)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(Cl)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 22.7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632491
((2R,3R,4S,5R,6R)-N-(3-bromo-5-cyanophenyl)-4-(4-(3...)Show SMILES CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)cc(Cl)c1)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Br)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 22.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632542
((2R,3R,4S,5R,6R)-2-((3,5-dichlorophenyl)((1S,2S)-2...)Show SMILES CC(=O)O[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(F)c(F)c1)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(Cl)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632457
((2R,3R,4S,5R,6R)-N-(3-bromo-5-cyanophenyl)-5-hydro...)Show SMILES CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(F)c(F)c1)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Br)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632507
((2R,3R,4S,5R,6R)-4-(4-(4-bromo-2,3-difluorophenyl)...)Show SMILES CO[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(Br)c(F)c1F)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(Cl)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 23.7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Galectin-3
(Homo sapiens (Human)) | BDBM632543
((2R,3R,4S,5R,6R)-2-((3-chloro-5-cyanophenyl)((1S,2...)Show SMILES CC(=O)O[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(F)c(F)c1)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(c1)C#N | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 25.3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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