Found 79 hits Enz. Inhib. hit(s) with all data for entry = 50002375 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 |
|---|
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457826
(CHEMBL4216500)Show SMILES Cn1cnc(c1)-c1cnc(N)c(O[C@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r| Show InChI InChI=1S/C22H20F5N5O3/c1-31-9-16(30-12-31)14-7-17(20(28)29-8-14)34-18-10-32(11-21(18,23)24)19(33)6-13-2-4-15(5-3-13)35-22(25,26)27/h2-5,7-9,12,18H,6,10-11H2,1H3,(H2,28,29)/t18-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
NT-3 growth factor receptor
(Homo sapiens (Human)) | BDBM50457839
(CHEMBL4211921)Show SMILES Cn1cc(cn1)-c1ccc(O[C@@H]2CCN(C2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O |r| Show InChI InChI=1S/C23H22F3N5O4/c1-30-12-15(11-28-30)18-6-7-19(21(29-18)22(27)33)34-17-8-9-31(13-17)20(32)10-14-2-4-16(5-3-14)35-23(24,25)26/h2-7,11-12,17H,8-10,13H2,1H3,(H2,27,33)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkC in human U2OS cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction ... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
NT-3 growth factor receptor
(Homo sapiens (Human)) | BDBM50457833
(CHEMBL4210892)Show SMILES Cn1cnc(c1)-c1cnc(O[C@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O |r| Show InChI InChI=1S/C24H23F4N5O4/c1-32-12-19(31-13-32)15-9-17(22(29)35)23(30-10-15)36-20-6-7-33(11-18(20)25)21(34)8-14-2-4-16(5-3-14)37-24(26,27)28/h2-5,9-10,12-13,18,20H,6-8,11H2,1H3,(H2,29,35)/t18-,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkC in human U2OS cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction ... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
NT-3 growth factor receptor
(Homo sapiens (Human)) | BDBM50457825
(CHEMBL4207042)Show SMILES CNC(=O)c1cnc(N)c(O[C@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r| Show InChI InChI=1S/C20H19F5N4O4/c1-27-18(31)12-7-14(17(26)28-8-12)32-15-9-29(10-19(15,21)22)16(30)6-11-2-4-13(5-3-11)33-20(23,24)25/h2-5,7-8,15H,6,9-10H2,1H3,(H2,26,28)(H,27,31)/t15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkC in human U2OS cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction ... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
NT-3 growth factor receptor
(Homo sapiens (Human)) | BDBM50457837
(CHEMBL4215846)Show SMILES Cn1cnc(c1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O Show InChI InChI=1S/C25H25F3N4O4/c1-31-14-21(30-15-31)17-4-7-22(20(13-17)24(29)34)35-18-8-10-32(11-9-18)23(33)12-16-2-5-19(6-3-16)36-25(26,27)28/h2-7,13-15,18H,8-12H2,1H3,(H2,29,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkC in human U2OS cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction ... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM50457833
(CHEMBL4210892)Show SMILES Cn1cnc(c1)-c1cnc(O[C@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O |r| Show InChI InChI=1S/C24H23F4N5O4/c1-32-12-19(31-13-32)15-9-17(22(29)35)23(30-10-15)36-20-6-7-33(11-18(20)25)21(34)8-14-2-4-16(5-3-14)37-24(26,27)28/h2-5,9-10,12-13,18,20H,6-8,11H2,1H3,(H2,29,35)/t18-,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM50457839
(CHEMBL4211921)Show SMILES Cn1cc(cn1)-c1ccc(O[C@@H]2CCN(C2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O |r| Show InChI InChI=1S/C23H22F3N5O4/c1-30-12-15(11-28-30)18-6-7-19(21(29-18)22(27)33)34-17-8-9-31(13-17)20(32)10-14-2-4-16(5-3-14)35-23(24,25)26/h2-7,11-12,17H,8-10,13H2,1H3,(H2,27,33)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
NT-3 growth factor receptor
(Homo sapiens (Human)) | BDBM50457827
(CHEMBL4203759)Show SMILES CC(C)(O)COc1ccc(C(N)=O)c(O[C@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r| Show InChI InChI=1S/C25H28F4N2O6/c1-24(2,34)14-35-17-7-8-18(23(30)33)21(12-17)36-20-9-10-31(13-19(20)26)22(32)11-15-3-5-16(6-4-15)37-25(27,28)29/h3-8,12,19-20,34H,9-11,13-14H2,1-2H3,(H2,30,33)/t19-,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkC in human U2OS cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction ... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM50457824
(CHEMBL4204174)Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O Show InChI InChI=1S/C25H25F3N4O4/c1-31-15-18(14-30-31)17-4-7-22(21(13-17)24(29)34)35-19-8-10-32(11-9-19)23(33)12-16-2-5-20(6-3-16)36-25(26,27)28/h2-7,13-15,19H,8-12H2,1H3,(H2,29,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
NT-3 growth factor receptor
(Homo sapiens (Human)) | BDBM50457828
(CHEMBL4218103)Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)15-2-7-21(20(12-15)22(28)33)35-18-8-10-32(11-9-18)23(34)30-17-3-5-19(6-4-17)36-24(25,26)27/h2-7,12-14,18H,8-11H2,1H3,(H2,28,33)(H,30,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkC in human U2OS cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction ... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM50457837
(CHEMBL4215846)Show SMILES Cn1cnc(c1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O Show InChI InChI=1S/C25H25F3N4O4/c1-31-14-21(30-15-31)17-4-7-22(20(13-17)24(29)34)35-18-8-10-32(11-9-18)23(33)12-16-2-5-19(6-3-16)36-25(26,27)28/h2-7,13-15,18H,8-12H2,1H3,(H2,29,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM50457825
(CHEMBL4207042)Show SMILES CNC(=O)c1cnc(N)c(O[C@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r| Show InChI InChI=1S/C20H19F5N4O4/c1-27-18(31)12-7-14(17(26)28-8-12)32-15-9-29(10-19(15,21)22)16(30)6-11-2-4-13(5-3-11)33-20(23,24)25/h2-5,7-8,15H,6,9-10H2,1H3,(H2,26,28)(H,27,31)/t15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM50457829
(CHEMBL4208510)Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)19-6-7-20(22(30-19)23(28)34)35-17-8-10-32(11-9-17)21(33)12-15-2-4-18(5-3-15)36-24(25,26)27/h2-7,13-14,17H,8-12H2,1H3,(H2,28,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457837
(CHEMBL4215846)Show SMILES Cn1cnc(c1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O Show InChI InChI=1S/C25H25F3N4O4/c1-31-14-21(30-15-31)17-4-7-22(20(13-17)24(29)34)35-18-8-10-32(11-9-18)23(33)12-16-2-5-19(6-3-16)36-25(26,27)28/h2-7,13-15,18H,8-12H2,1H3,(H2,29,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457839
(CHEMBL4211921)Show SMILES Cn1cc(cn1)-c1ccc(O[C@@H]2CCN(C2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O |r| Show InChI InChI=1S/C23H22F3N5O4/c1-30-12-15(11-28-30)18-6-7-19(21(29-18)22(27)33)34-17-8-9-31(13-17)20(32)10-14-2-4-16(5-3-14)35-23(24,25)26/h2-7,11-12,17H,8-10,13H2,1H3,(H2,27,33)/t17-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457836
(CHEMBL4213038)Show SMILES Cn1cnc(c1)-c1cnc(N)c(O[C@@H]2CN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r| Show InChI InChI=1S/C22H21F4N5O3/c1-30-10-17(29-12-30)14-7-18(21(27)28-8-14)33-19-11-31(9-16(19)23)20(32)6-13-2-4-15(5-3-13)34-22(24,25)26/h2-5,7-8,10,12,16,19H,6,9,11H2,1H3,(H2,27,28)/t16-,19-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
NT-3 growth factor receptor
(Homo sapiens (Human)) | BDBM50457829
(CHEMBL4208510)Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)19-6-7-20(22(30-19)23(28)34)35-17-8-10-32(11-9-17)21(33)12-15-2-4-18(5-3-15)36-24(25,26)27/h2-7,13-14,17H,8-12H2,1H3,(H2,28,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkC in human U2OS cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction ... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457825
(CHEMBL4207042)Show SMILES CNC(=O)c1cnc(N)c(O[C@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r| Show InChI InChI=1S/C20H19F5N4O4/c1-27-18(31)12-7-14(17(26)28-8-12)32-15-9-29(10-19(15,21)22)16(30)6-11-2-4-13(5-3-11)33-20(23,24)25/h2-5,7-8,15H,6,9-10H2,1H3,(H2,26,28)(H,27,31)/t15-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457824
(CHEMBL4204174)Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O Show InChI InChI=1S/C25H25F3N4O4/c1-31-15-18(14-30-31)17-4-7-22(21(13-17)24(29)34)35-19-8-10-32(11-9-19)23(33)12-16-2-5-20(6-3-16)36-25(26,27)28/h2-7,13-15,19H,8-12H2,1H3,(H2,29,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457823
(CHEMBL4204070)Show SMILES Cn1cnc(c1)-c1cnc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O Show InChI InChI=1S/C24H24F3N5O4/c1-31-13-20(30-14-31)16-11-19(22(28)34)23(29-12-16)35-17-6-8-32(9-7-17)21(33)10-15-2-4-18(5-3-15)36-24(25,26)27/h2-5,11-14,17H,6-10H2,1H3,(H2,28,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457840
(CHEMBL4216371)Show SMILES CCNC(=O)c1cnc(N)c(O[C@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r| Show InChI InChI=1S/C21H21F5N4O4/c1-2-28-19(32)13-8-15(18(27)29-9-13)33-16-10-30(11-20(16,22)23)17(31)7-12-3-5-14(6-4-12)34-21(24,25)26/h3-6,8-9,16H,2,7,10-11H2,1H3,(H2,27,29)(H,28,32)/t16-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457831
(CHEMBL4207464)Show SMILES Cn1cnc(c1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)c(F)c2)c(c1)C(N)=O Show InChI InChI=1S/C25H24F4N4O4/c1-32-13-20(31-14-32)16-3-5-21(18(12-16)24(30)35)36-17-6-8-33(9-7-17)23(34)11-15-2-4-22(19(26)10-15)37-25(27,28)29/h2-5,10,12-14,17H,6-9,11H2,1H3,(H2,30,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457830
(CHEMBL4211826)Show SMILES C[C@H](C(=O)N1CCC(CC1)Oc1ccc(cc1C(N)=O)-c1cn(C)cn1)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C26H27F3N4O4/c1-16(17-3-6-20(7-4-17)37-26(27,28)29)25(35)33-11-9-19(10-12-33)36-23-8-5-18(13-21(23)24(30)34)22-14-32(2)15-31-22/h3-8,13-16,19H,9-12H2,1-2H3,(H2,30,34)/t16-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM50457827
(CHEMBL4203759)Show SMILES CC(C)(O)COc1ccc(C(N)=O)c(O[C@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r| Show InChI InChI=1S/C25H28F4N2O6/c1-24(2,34)14-35-17-7-8-18(23(30)33)21(12-17)36-20-9-10-31(13-19(20)26)22(32)11-15-3-5-16(6-4-15)37-25(27,28)29/h3-8,12,19-20,34H,9-11,13-14H2,1-2H3,(H2,30,33)/t19-,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457829
(CHEMBL4208510)Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)19-6-7-20(22(30-19)23(28)34)35-17-8-10-32(11-9-17)21(33)12-15-2-4-18(5-3-15)36-24(25,26)27/h2-7,13-14,17H,8-12H2,1H3,(H2,28,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457828
(CHEMBL4218103)Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)15-2-7-21(20(12-15)22(28)33)35-18-8-10-32(11-9-18)23(34)30-17-3-5-19(6-4-17)36-24(25,26)27/h2-7,12-14,18H,8-11H2,1H3,(H2,28,33)(H,30,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM50457828
(CHEMBL4218103)Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)15-2-7-21(20(12-15)22(28)33)35-18-8-10-32(11-9-18)23(34)30-17-3-5-19(6-4-17)36-24(25,26)27/h2-7,12-14,18H,8-11H2,1H3,(H2,28,33)(H,30,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457841
(CHEMBL4208942)Show SMILES Cn1cnc(c1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC3CC3)c(F)c2)c(c1)C(N)=O Show InChI InChI=1S/C27H29FN4O4/c1-31-15-23(30-16-31)18-3-7-24(21(14-18)27(29)34)35-20-8-10-32(11-9-20)26(33)13-17-2-6-25(22(28)12-17)36-19-4-5-19/h2-3,6-7,12,14-16,19-20H,4-5,8-11,13H2,1H3,(H2,29,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
NT-3 growth factor receptor
(Homo sapiens (Human)) | BDBM50457838
(CHEMBL4203637)Show SMILES Cn1cc(cn1)-c1ccc(O[C@H]2CCN(C2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O |r| Show InChI InChI=1S/C23H22F3N5O4/c1-30-12-15(11-28-30)18-6-7-19(21(29-18)22(27)33)34-17-8-9-31(13-17)20(32)10-14-2-4-16(5-3-14)35-23(24,25)26/h2-7,11-12,17H,8-10,13H2,1H3,(H2,27,33)/t17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkC in human U2OS cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction ... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457821
(CHEMBL4212366)Show SMILES C[C@@H](C(=O)N1CCC(CC1)Oc1ccc(cc1C(N)=O)-c1cn(C)cn1)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C26H27F3N4O4/c1-16(17-3-6-20(7-4-17)37-26(27,28)29)25(35)33-11-9-19(10-12-33)36-23-8-5-18(13-21(23)24(30)34)22-14-32(2)15-31-22/h3-8,13-16,19H,9-12H2,1-2H3,(H2,30,34)/t16-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM50457838
(CHEMBL4203637)Show SMILES Cn1cc(cn1)-c1ccc(O[C@H]2CCN(C2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O |r| Show InChI InChI=1S/C23H22F3N5O4/c1-30-12-15(11-28-30)18-6-7-19(21(29-18)22(27)33)34-17-8-9-31(13-17)20(32)10-14-2-4-16(5-3-14)35-23(24,25)26/h2-7,11-12,17H,8-10,13H2,1H3,(H2,27,33)/t17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457847
(CHEMBL4208124)Show SMILES Cn1cnc(c1)-c1cnc(N)c(O[C@H]2CN(C[C@@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r| Show InChI InChI=1S/C22H21F4N5O3/c1-30-10-17(29-12-30)14-7-18(21(27)28-8-14)33-19-11-31(9-16(19)23)20(32)6-13-2-4-15(5-3-13)34-22(24,25)26/h2-5,7-8,10,12,16,19H,6,9,11H2,1H3,(H2,27,28)/t16-,19-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457822
(CHEMBL4211534)Show SMILES Cn1cnc(c1)-c1cnc(N)c(O[C@@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r| Show InChI InChI=1S/C22H20F5N5O3/c1-31-9-16(30-12-31)14-7-17(20(28)29-8-14)34-18-10-32(11-21(18,23)24)19(33)6-13-2-4-15(5-3-13)35-22(25,26)27/h2-5,7-9,12,18H,6,10-11H2,1H3,(H2,28,29)/t18-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457833
(CHEMBL4210892)Show SMILES Cn1cnc(c1)-c1cnc(O[C@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O |r| Show InChI InChI=1S/C24H23F4N5O4/c1-32-12-19(31-13-32)15-9-17(22(29)35)23(30-10-15)36-20-6-7-33(11-18(20)25)21(34)8-14-2-4-16(5-3-14)37-24(26,27)28/h2-5,9-10,12-13,18,20H,6-8,11H2,1H3,(H2,29,35)/t18-,20+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457838
(CHEMBL4203637)Show SMILES Cn1cc(cn1)-c1ccc(O[C@H]2CCN(C2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O |r| Show InChI InChI=1S/C23H22F3N5O4/c1-30-12-15(11-28-30)18-6-7-19(21(29-18)22(27)33)34-17-8-9-31(13-17)20(32)10-14-2-4-16(5-3-14)35-23(24,25)26/h2-7,11-12,17H,8-10,13H2,1H3,(H2,27,33)/t17-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457834
(CHEMBL4212493)Show SMILES Cn1cnc(c1)-c1ccc(OC2CCN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O Show InChI InChI=1S/C25H23F5N4O4/c1-33-12-19(32-14-33)16-4-7-20(18(11-16)23(31)36)37-21-8-9-34(13-24(21,26)27)22(35)10-15-2-5-17(6-3-15)38-25(28,29)30/h2-7,11-12,14,21H,8-10,13H2,1H3,(H2,31,36) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457842
(CHEMBL4215848)Show SMILES Cn1cnc(c1)-c1cnc(O[C@@H]2CCN(C[C@@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O |r| Show InChI InChI=1S/C24H23F4N5O4/c1-32-12-19(31-13-32)15-9-17(22(29)35)23(30-10-15)36-20-6-7-33(11-18(20)25)21(34)8-14-2-4-16(5-3-14)37-24(26,27)28/h2-5,9-10,12-13,18,20H,6-8,11H2,1H3,(H2,29,35)/t18-,20+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50457828
(CHEMBL4218103)Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)15-2-7-21(20(12-15)22(28)33)35-18-8-10-32(11-9-18)23(34)30-17-3-5-19(6-4-17)36-24(25,26)27/h2-7,12-14,18H,8-11H2,1H3,(H2,28,33)(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by fluorescence polarization assay |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50457821
(CHEMBL4212366)Show SMILES C[C@@H](C(=O)N1CCC(CC1)Oc1ccc(cc1C(N)=O)-c1cn(C)cn1)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C26H27F3N4O4/c1-16(17-3-6-20(7-4-17)37-26(27,28)29)25(35)33-11-9-19(10-12-33)36-23-8-5-18(13-21(23)24(30)34)22-14-32(2)15-31-22/h3-8,13-16,19H,9-12H2,1-2H3,(H2,30,34)/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by fluorescence polarization assay |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50457823
(CHEMBL4204070)Show SMILES Cn1cnc(c1)-c1cnc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O Show InChI InChI=1S/C24H24F3N5O4/c1-31-13-20(30-14-31)16-11-19(22(28)34)23(29-12-16)35-17-6-8-32(9-7-17)21(33)10-15-2-4-18(5-3-15)36-24(25,26)27/h2-5,11-14,17H,6-10H2,1H3,(H2,28,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by fluorescence polarization assay |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50457824
(CHEMBL4204174)Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O Show InChI InChI=1S/C25H25F3N4O4/c1-31-15-18(14-30-31)17-4-7-22(21(13-17)24(29)34)35-19-8-10-32(11-9-19)23(33)12-16-2-5-20(6-3-16)36-25(26,27)28/h2-7,13-15,19H,8-12H2,1H3,(H2,29,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by fluorescence polarization assay |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50457833
(CHEMBL4210892)Show SMILES Cn1cnc(c1)-c1cnc(O[C@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O |r| Show InChI InChI=1S/C24H23F4N5O4/c1-32-12-19(31-13-32)15-9-17(22(29)35)23(30-10-15)36-20-6-7-33(11-18(20)25)21(34)8-14-2-4-16(5-3-14)37-24(26,27)28/h2-5,9-10,12-13,18,20H,6-8,11H2,1H3,(H2,29,35)/t18-,20+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR (unknown origin) by cell based assay |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50457829
(CHEMBL4208510)Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)19-6-7-20(22(30-19)23(28)34)35-17-8-10-32(11-9-17)21(33)12-15-2-4-18(5-3-15)36-24(25,26)27/h2-7,13-14,17H,8-12H2,1H3,(H2,28,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by fluorescence polarization assay |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457832
(CHEMBL4216273)Show SMILES Cn1cnc(c1)-c1cnc(O[C@H]2CCN(C[C@@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O |r| Show InChI InChI=1S/C24H23F4N5O4/c1-32-12-19(31-13-32)15-9-17(22(29)35)23(30-10-15)36-20-6-7-33(11-18(20)25)21(34)8-14-2-4-16(5-3-14)37-24(26,27)28/h2-5,9-10,12-13,18,20H,6-8,11H2,1H3,(H2,29,35)/t18-,20-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50457830
(CHEMBL4211826)Show SMILES C[C@H](C(=O)N1CCC(CC1)Oc1ccc(cc1C(N)=O)-c1cn(C)cn1)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C26H27F3N4O4/c1-16(17-3-6-20(7-4-17)37-26(27,28)29)25(35)33-11-9-19(10-12-33)36-23-8-5-18(13-21(23)24(30)34)22-14-32(2)15-31-22/h3-8,13-16,19H,9-12H2,1-2H3,(H2,30,34)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by fluorescence polarization assay |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50457839
(CHEMBL4211921)Show SMILES Cn1cc(cn1)-c1ccc(O[C@@H]2CCN(C2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O |r| Show InChI InChI=1S/C23H22F3N5O4/c1-30-12-15(11-28-30)18-6-7-19(21(29-18)22(27)33)34-17-8-9-31(13-17)20(32)10-14-2-4-16(5-3-14)35-23(24,25)26/h2-7,11-12,17H,8-10,13H2,1H3,(H2,27,33)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by fluorescence polarization assay |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50457845
(CHEMBL4204606)Show SMILES Cn1cnc(c1)-c1cnc(O[C@@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O |r| Show InChI InChI=1S/C24H23F4N5O4/c1-32-12-19(31-13-32)15-9-17(22(29)35)23(30-10-15)36-20-6-7-33(11-18(20)25)21(34)8-14-2-4-16(5-3-14)37-24(26,27)28/h2-5,9-10,12-13,18,20H,6-8,11H2,1H3,(H2,29,35)/t18-,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by fluorescence polarization assay |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50457826
(CHEMBL4216500)Show SMILES Cn1cnc(c1)-c1cnc(N)c(O[C@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r| Show InChI InChI=1S/C22H20F5N5O3/c1-31-9-16(30-12-31)14-7-17(20(28)29-8-14)34-18-10-32(11-21(18,23)24)19(33)6-13-2-4-15(5-3-13)35-22(25,26)27/h2-5,7-9,12,18H,6,10-11H2,1H3,(H2,28,29)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch express assay |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50457827
(CHEMBL4203759)Show SMILES CC(C)(O)COc1ccc(C(N)=O)c(O[C@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r| Show InChI InChI=1S/C25H28F4N2O6/c1-24(2,34)14-35-17-7-8-18(23(30)33)21(12-17)36-20-9-10-31(13-19(20)26)22(32)11-15-3-5-16(6-4-15)37-25(27,28)29/h3-8,12,19-20,34H,9-11,13-14H2,1-2H3,(H2,30,33)/t19-,20+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc... |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50457833
(CHEMBL4210892)Show SMILES Cn1cnc(c1)-c1cnc(O[C@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O |r| Show InChI InChI=1S/C24H23F4N5O4/c1-32-12-19(31-13-32)15-9-17(22(29)35)23(30-10-15)36-20-6-7-33(11-18(20)25)21(34)8-14-2-4-16(5-3-14)37-24(26,27)28/h2-5,9-10,12-13,18,20H,6-8,11H2,1H3,(H2,29,35)/t18-,20+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha1A adrenergic receptor (unknown origin) |
J Med Chem 61: 6779-6800 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW |
More data for this
Ligand-Target Pair | |
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