Found 2791 hits with Last Name = 'huang' and Initial = 'b' 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 |
|---|
Coagulation factor X
(Homo sapiens (Human)) | BDBM12751
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Tested for binding affinity against human Coagulation factor Xa (trypsin-like serine protease) |
Bioorg Med Chem Lett 12: 1651-5 (2002)
BindingDB Entry DOI: 10.7270/Q2VT1RFZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12751
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Coagulation factor Xa (serine protease) was determined |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM340314
((Scheme A): Preparation of 2,2-difluoroethyl (3S)-...)Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)F)c1F)N1CCOCC1 |r| Show InChI InChI=1S/C20H25F3N8O4/c21-13(22)9-35-19(33)31-2-1-20(10-31,11-32)29-16-14(23)15(12-7-25-17(24)26-8-12)27-18(28-16)30-3-5-34-6-4-30/h7-8,13,32H,1-6,9-11H2,(H2,24,25,26)(H,27,28,29)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| <0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM340336
(US9758538, Example 24)Show SMILES CC(C)(C)OC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C22H32N8O4/c1-21(2,3)34-20(32)30-5-4-22(13-30,14-31)28-17-10-16(15-11-24-18(23)25-12-15)26-19(27-17)29-6-8-33-9-7-29/h10-12,31H,4-9,13-14H2,1-3H3,(H2,23,24,25)(H,26,27,28)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM340384
(US9758538, Example 72)Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C19H25FN8O4/c1-31-18(30)28-3-2-19(10-28,11-29)26-15-13(20)14(12-8-22-16(21)23-9-12)24-17(25-15)27-4-6-32-7-5-27/h8-9,29H,2-7,10-11H2,1H3,(H2,21,22,23)(H,24,25,26)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207196
(US9260439, 173)Show SMILES CNS(=O)(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C20H29N9O3S/c1-20(4-6-28(13-20)33(30,31)22-2)29-5-3-15-16(14-11-23-18(21)24-12-14)25-19(26-17(15)29)27-7-9-32-10-8-27/h11-12,22H,3-10,13H2,1-2H3,(H2,21,23,24)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207378
(US9260439, 262)Show SMILES CC(C)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C23H32N8O2/c1-15(2)20(32)30-7-5-23(3,14-30)31-6-4-17-18(16-12-25-21(24)26-13-16)27-22(28-19(17)31)29-8-10-33-11-9-29/h12-13,15H,4-11,14H2,1-3H3,(H2,24,25,26)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207217
(US9260439, 194 | US9260439, 238 | US9260439, 239)Show SMILES CC(C)(C)OC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C24H34N8O3/c1-23(2,3)35-22(33)31-8-6-24(4,15-31)32-7-5-17-18(16-13-26-20(25)27-14-16)28-21(29-19(17)32)30-9-11-34-12-10-30/h13-14H,5-12,15H2,1-4H3,(H2,25,26,27)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| <0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM340346
(US9758538, Example 34)Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C19H26N8O4/c1-30-18(29)27-3-2-19(11-27,12-28)25-15-8-14(13-9-21-16(20)22-10-13)23-17(24-15)26-4-6-31-7-5-26/h8-10,28H,2-7,11-12H2,1H3,(H2,20,21,22)(H,23,24,25)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM340391
(US9758538, Example 79)Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)F)nc(n1)N1CCOCC1 |r| Show InChI InChI=1S/C20H26F2N8O4/c21-15(22)10-34-19(32)30-2-1-20(11-30,12-31)28-16-7-14(13-8-24-17(23)25-9-13)26-18(27-16)29-3-5-33-6-4-29/h7-9,15,31H,1-6,10-12H2,(H2,23,24,25)(H,26,27,28)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207028
(US9260439, 10 | US9260439, 4)Show SMILES CC(C)(N)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C23H33N9O2/c1-22(2,25)19(33)31-7-5-23(3,14-31)32-6-4-16-17(15-12-26-20(24)27-13-15)28-21(29-18(16)32)30-8-10-34-11-9-30/h12-13H,4-11,14,25H2,1-3H3,(H2,24,26,27)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207236
(US9260439, 213)Show SMILES COC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C21H28N8O3/c1-21(4-6-28(13-21)20(30)31-2)29-5-3-15-16(14-11-23-18(22)24-12-14)25-19(26-17(15)29)27-7-9-32-10-8-27/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207172
(US9260439, 149)Show SMILES C[C@@]1(CCN(C1)S(C)(=O)=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C20H28N8O3S/c1-20(4-6-27(13-20)32(2,29)30)28-5-3-15-16(14-11-22-18(21)23-12-14)24-19(25-17(15)28)26-7-9-31-10-8-26/h11-12H,3-10,13H2,1-2H3,(H2,21,22,23)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207391
(US9260439, 275)Show SMILES CC(C)(O)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C23H32N8O3/c1-22(2,33)19(32)30-7-5-23(3,14-30)31-6-4-16-17(15-12-25-20(24)26-13-15)27-21(28-18(16)31)29-8-10-34-11-9-29/h12-13,33H,4-11,14H2,1-3H3,(H2,24,25,26)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370133
(US10233188, Example 22 | US10800783, Example 22 | ...)Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C19H27N5O3S/c1-13-11-14-12-20-19(21-15-7-9-23(10-8-15)28(2,26)27)22-17(14)24(18(13)25)16-5-3-4-6-16/h11-12,15-16H,3-10H2,1-2H3,(H,20,21,22) | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.0470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM467013
((-)-6-(2,2-difluoroethyl)-8-[(1R*,2R*)-2-hydroxy-2...)Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC(F)F)c1=O |r| Show InChI InChI=1S/C21H29F2N5O4S/c1-21(30)7-3-4-16(21)28-18-14(10-13(19(28)29)11-17(22)23)12-24-20(26-18)25-15-5-8-27(9-6-15)33(2,31)32/h10,12,15-17,30H,3-9,11H2,1-2H3,(H,24,25,26)/t16-,21-/m1/s1 | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.0640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207234
(US9260439, 211)Show SMILES CC(=O)N1CC[C@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C21H28N8O2/c1-14(30)28-6-4-21(2,13-28)29-5-3-16-17(15-11-23-19(22)24-12-15)25-20(26-18(16)29)27-7-9-31-10-8-27/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207239
(US9260439, 216)Show SMILES CNC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C21H29N9O2/c1-21(4-6-29(13-21)20(31)23-2)30-5-3-15-16(14-11-24-18(22)25-12-14)26-19(27-17(15)30)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H,23,31)(H2,22,24,25)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370147
(US10233188, Example 36 | US10800783, Example 36 | ...)Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r| Show InChI InChI=1S/C19H27N5O3S/c1-13-4-3-5-16(13)24-17(25)7-6-14-12-20-19(22-18(14)24)21-15-8-10-23(11-9-15)28(2,26)27/h6-7,12-13,15-16H,3-5,8-11H2,1-2H3,(H,20,21,22)/t13-,16+/m0/s1 | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM340352
(US9758538, Example 40)Show SMILES CC(C)(C)OC(=O)N1CC[C@@](C)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C22H32N8O3/c1-21(2,3)33-20(31)30-6-5-22(4,14-30)28-17-11-16(15-12-24-18(23)25-13-15)26-19(27-17)29-7-9-32-10-8-29/h11-13H,5-10,14H2,1-4H3,(H2,23,24,25)(H,26,27,28)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50609170
(CHEMBL5266837) | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50246967
(CHEMBL4080228 | US10570121, Example 81)Show SMILES CO[C@H](C1COC1)c1cc(Cl)c2CCN(Cc3c(OC)cc(C)[nH]c3=O)C(=O)c2c1Cl |r| Show InChI InChI=1S/C22H24Cl2N2O5/c1-11-6-17(29-2)15(21(27)25-11)8-26-5-4-13-16(23)7-14(19(24)18(13)22(26)28)20(30-3)12-9-31-10-12/h6-7,12,20H,4-5,8-10H2,1-3H3,(H,25,27)/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec
Curated by ChEMBL
| Assay Description
Binding affinity to EZH2 (unknown origin) |
J Med Chem 61: 650-665 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01375
BindingDB Entry DOI: 10.7270/Q2X069G8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM467013
((-)-6-(2,2-difluoroethyl)-8-[(1R*,2R*)-2-hydroxy-2...)Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC(F)F)c1=O |r| Show InChI InChI=1S/C21H29F2N5O4S/c1-21(30)7-3-4-16(21)28-18-14(10-13(19(28)29)11-17(22)23)12-24-20(26-18)25-15-5-8-27(9-6-15)33(2,31)32/h10,12,15-17,30H,3-9,11H2,1-2H3,(H,24,25,26)/t16-,21-/m1/s1 | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370121
(6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcy...)Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O |r| Show InChI InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1 | MMDB
KEGG
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DrugBank
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MCE
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UniChem
| | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370205
(US10233188, Example 92 | US10800783, Example 92 | ...)Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r| Show InChI InChI=1S/C20H29N5O4S/c1-13-11-14-12-21-19(22-15-6-9-24(10-7-15)30(3,28)29)23-17(14)25(18(13)26)16-5-4-8-20(16,2)27/h11-12,15-16,27H,4-10H2,1-3H3,(H,21,22,23)/t16-,20-/m1/s1 | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207061
(US9260439, 38)Show SMILES CNS(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C19H27N9O3S/c1-21-32(29,30)27-4-2-14(12-27)28-5-3-15-16(13-10-22-18(20)23-11-13)24-19(25-17(15)28)26-6-8-31-9-7-26/h10-11,14,21H,2-9,12H2,1H3,(H2,20,22,23)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370121
(6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcy...)Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O |r| Show InChI InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1 | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
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| Purchase
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UniChem
| | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM340347
(US9758538, Example 35)Show SMILES CC(C)C(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C21H30N8O3/c1-14(2)18(31)29-4-3-21(12-29,13-30)27-17-9-16(15-10-23-19(22)24-11-15)25-20(26-17)28-5-7-32-8-6-28/h9-11,14,30H,3-8,12-13H2,1-2H3,(H2,22,23,24)(H,25,26,27)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM207043
(US9260439, 20)Show SMILES CS(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r| Show InChI InChI=1S/C19H26N8O3S/c1-31(28,29)26-4-2-14(12-26)27-5-3-15-16(13-10-21-18(20)22-11-13)23-19(24-17(15)27)25-6-8-30-9-7-25/h10-11,14H,2-9,12H2,1H3,(H2,20,21,22)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50586108
(CHEMBL5094608)Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1ccc[nH]1)ccc3O |r,THB:10:9:6.5.7:17| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50586084
(CHEMBL5094575)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1cn[nH]c1)ccc3O |r,THB:10:9:17:6.4.5| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to mouse mu opioid receptor expressed in CHO cells in presence of naltrexone incubated for 1.5 hrs by competitive radioligand bindin... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02185
BindingDB Entry DOI: 10.7270/Q25Q510Q |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113598
((Z)-3-(3-Carbamimidoyl-4-fluoro-phenyl)-2-fluoro-b...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1Cl)-c1ccccc1S(N)(=O)=O)c1ccc(F)c(c1)C(N)=N Show InChI InChI=1S/C23H19ClF2N4O3S/c1-12(13-6-8-18(25)16(10-13)22(27)28)21(26)23(31)30-19-9-7-14(11-17(19)24)15-4-2-3-5-20(15)34(29,32)33/h2-11H,1H3,(H3,27,28)(H,30,31)(H2,29,32,33)/b21-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against factor Xa,activity expressed as Ki nM |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM467013
((-)-6-(2,2-difluoroethyl)-8-[(1R*,2R*)-2-hydroxy-2...)Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC(F)F)c1=O |r| Show InChI InChI=1S/C21H29F2N5O4S/c1-21(30)7-3-4-16(21)28-18-14(10-13(19(28)29)11-17(22)23)12-24-20(26-18)25-15-5-8-27(9-6-15)33(2,31)32/h10,12,15-17,30H,3-9,11H2,1-2H3,(H,24,25,26)/t16-,21-/m1/s1 | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370256
(BDBM467151 | US10233188, Example 143)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CO)c(=O)n(C3CCCC3)c2n1 | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370257
(BDBM467152 | US10233188, Example 144)Show SMILES COCCc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 0.196 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50586103
(CHEMBL5087231)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1cnc[nH]1)ccc3O |r,THB:10:9:17:6.4.5| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to mouse mu opioid receptor expressed in CHO cells in presence of naltrexone incubated for 1.5 hrs by competitive radioligand bindin... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02185
BindingDB Entry DOI: 10.7270/Q25Q510Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50586092
(CHEMBL5081372)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1cc[nH]n1)ccc3O |r,THB:10:9:17:6.4.5| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to mouse mu opioid receptor expressed in CHO cells in presence of naltrexone incubated for 1.5 hrs by competitive radioligand bindin... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02185
BindingDB Entry DOI: 10.7270/Q25Q510Q |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | MMDB
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UniChem
Patents
Similars
| | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50586137
(CHEMBL5085590)Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1ccsc1)ccc3O |r,THB:10:9:17:6.5.7| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370120
(6-chloro-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]...)Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(Cl)c1=O |r| Show InChI InChI=1S/C19H26ClN5O4S/c1-19(27)7-3-4-15(19)25-16-12(10-14(20)17(25)26)11-21-18(23-16)22-13-5-8-24(9-6-13)30(2,28)29/h10-11,13,15,27H,3-9H2,1-2H3,(H,21,22,23)/t15-,19-/m1/s1 | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370113
(8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(m...)Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r| Show InChI InChI=1S/C19H27N5O4S/c1-19(26)9-3-4-15(19)24-16(25)6-5-13-12-20-18(22-17(13)24)21-14-7-10-23(11-8-14)29(2,27)28/h5-6,12,14-15,26H,3-4,7-11H2,1-2H3,(H,20,21,22)/t15-,19-/m1/s1 | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50609166
(CHEMBL5280928) | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50609166
(CHEMBL5280928) | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50586128
(CHEMBL5089829)Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ccoc1)ccc3O |r,THB:10:9:17:6.5.7| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50586139
(CHEMBL5092405)Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ccsc1)ccc3O |r,THB:10:9:17:6.5.7| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50609171
(CHEMBL5288078) | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50586093
(CHEMBL5082472)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1cc[nH]n1)ccc3O |r,THB:10:9:17:6.4.5| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to mouse mu opioid receptor expressed in CHO cells in presence of naltrexone incubated for 1.5 hrs by competitive radioligand bindin... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02185
BindingDB Entry DOI: 10.7270/Q25Q510Q |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Mus musculus (Mouse)) | BDBM50586139
(CHEMBL5092405)Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ccsc1)ccc3O |r,THB:10:9:17:6.5.7| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50586126
(CHEMBL5081715)Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1ccoc1)ccc3O |r,THB:10:9:17:6.5.7| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50586120
(CHEMBL5085221)Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1ccco1)ccc3O |r,THB:10:9:17:6.5.7| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F |
More data for this
Ligand-Target Pair | |
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