Found 13517 hits with Last Name = 'campbell' and Initial = 'bt' 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 |
|---|
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50400601
(CHEMBL2203434)Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 phosphorylation in human MV4-11 cells |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50400602
(CHEMBL2206278)Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of KIT phosphorylation in human H526 cells |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM272063
(US10065945, Example 57)Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1nc(no1)C(=O)N1CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C24H25F2N5O4S/c1-15(17-10-19(25)13-20(26)11-17)31-9-6-16-4-5-21(12-18(16)14-31)36(33,34)29-24-27-22(28-35-24)23(32)30-7-2-3-8-30/h4-5,10-13,15H,2-3,6-9,14H2,1H3,(H,27,28,29)/t15-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | 25 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl... |
US Patent US10065945 (2018)
BindingDB Entry DOI: 10.7270/Q24X59TJ |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50400602
(CHEMBL2206278)Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 phosphorylation in human MV4-11 cells |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50400600
(CHEMBL2206277)Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 phosphorylation in human MV4-11 cells |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM272061
(US10065945, Example 55)Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1nc(no1)C(=O)N1CCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C23H23F2N5O4S/c1-14(16-9-18(24)12-19(25)10-16)30-8-5-15-3-4-20(11-17(15)13-30)35(32,33)28-23-26-21(27-34-23)22(31)29-6-2-7-29/h3-4,9-12,14H,2,5-8,13H2,1H3,(H,26,27,28)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | 25 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl... |
US Patent US10065945 (2018)
BindingDB Entry DOI: 10.7270/Q24X59TJ |
More data for this
Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM272062
(US10065945, Example 56)Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1nc(no1)C(=O)N(C)C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C22H23F2N5O4S/c1-13(15-8-17(23)11-18(24)9-15)29-7-6-14-4-5-19(10-16(14)12-29)34(31,32)27-22-25-20(26-33-22)21(30)28(2)3/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,25,26,27)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | 25 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl... |
US Patent US10065945 (2018)
BindingDB Entry DOI: 10.7270/Q24X59TJ |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50400601
(CHEMBL2203434)Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRbeta phosphorylation in human MG63 cells |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50400601
(CHEMBL2203434)Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of M-CSF-induced FK506 -fussed CSF1R phosphorylation expressed in HEK293 cells after 2 hrs by sandwich ELISA |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM272059
(US10065945, Example 53)Show SMILES CCNC(=O)c1noc(NS(=O)(=O)c2ccc3CCN(Cc3c2)[C@H](C)c2cc(F)cc(F)c2)n1 |r| Show InChI InChI=1S/C22H23F2N5O4S/c1-3-25-21(30)20-26-22(33-27-20)28-34(31,32)19-5-4-14-6-7-29(12-16(14)10-19)13(2)15-8-17(23)11-18(24)9-15/h4-5,8-11,13H,3,6-7,12H2,1-2H3,(H,25,30)(H,26,27,28)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | 25 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl... |
US Patent US10065945 (2018)
BindingDB Entry DOI: 10.7270/Q24X59TJ |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50400602
(CHEMBL2206278)Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRbeta phosphorylation in human MG63 cells |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50400601
(CHEMBL2203434)Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of KIT phosphorylation in human H526 cells |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50400600
(CHEMBL2206277)Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38) | PDB
UniProtKB/SwissProt
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of KIT phosphorylation in human H526 cells |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM271895
(US10065945, Example 7)Show SMILES CCc1noc(NS(=O)(=O)c2ccc3CCN(Cc3c2)[C@H](C)c2ccc(OCC(F)(F)F)nc2)n1 |r| Show InChI InChI=1S/C22H24F3N5O4S/c1-3-19-27-21(34-28-19)29-35(31,32)18-6-4-15-8-9-30(12-17(15)10-18)14(2)16-5-7-20(26-11-16)33-13-22(23,24)25/h4-7,10-11,14H,3,8-9,12-13H2,1-2H3,(H,27,28,29)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | 25 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl... |
US Patent US10065945 (2018)
BindingDB Entry DOI: 10.7270/Q24X59TJ |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50400600
(CHEMBL2206277)Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRbeta phosphorylation in human MG63 cells |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM271894
(US10065945, Example 6)Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1noc(n1)-c1ccccc1)c1ccc(OCC(F)(F)F)nc1 |r| Show InChI InChI=1S/C26H24F3N5O4S/c1-17(20-8-10-23(30-14-20)37-16-26(27,28)29)34-12-11-18-7-9-22(13-21(18)15-34)39(35,36)33-25-31-24(38-32-25)19-5-3-2-4-6-19/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,32,33)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | 25 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl... |
US Patent US10065945 (2018)
BindingDB Entry DOI: 10.7270/Q24X59TJ |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50400602
(CHEMBL2206278)Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of M-CSF-induced FK506 -fussed CSF1R phosphorylation expressed in HEK293 cells after 2 hrs by sandwich ELISA |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM272058
(US10065945, Example 8)Show SMILES CC(C)c1nc(NS(=O)(=O)c2ccc3CCN(Cc3c2)[C@H](C)c2ccc(OCC(F)(F)F)nc2)no1 |r| Show InChI InChI=1S/C23H26F3N5O4S/c1-14(2)21-28-22(29-35-21)30-36(32,33)19-6-4-16-8-9-31(12-18(16)10-19)15(3)17-5-7-20(27-11-17)34-13-23(24,25)26/h4-7,10-11,14-15H,8-9,12-13H2,1-3H3,(H,29,30)/t15-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | 25 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl... |
US Patent US10065945 (2018)
BindingDB Entry DOI: 10.7270/Q24X59TJ |
More data for this
Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM272064
(US10065945, Example 58)Show SMILES CC(C)CNC(=O)c1noc(NS(=O)(=O)c2ccc3CCN(Cc3c2)[C@H](C)c2cc(F)cc(F)c2)n1 |r| Show InChI InChI=1S/C24H27F2N5O4S/c1-14(2)12-27-23(32)22-28-24(35-29-22)30-36(33,34)21-5-4-16-6-7-31(13-18(16)10-21)15(3)17-8-19(25)11-20(26)9-17/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,27,32)(H,28,29,30)/t15-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | 25 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl... |
US Patent US10065945 (2018)
BindingDB Entry DOI: 10.7270/Q24X59TJ |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50400600
(CHEMBL2206277)Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of M-CSF-induced FK506 -fussed CSF1R phosphorylation expressed in HEK293 cells after 2 hrs by sandwich ELISA |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM272060
(US10065945, Example 54)Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1nc(no1)C(=O)NCC(F)(F)F)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C22H20F5N5O4S/c1-12(14-6-16(23)9-17(24)7-14)32-5-4-13-2-3-18(8-15(13)10-32)37(34,35)31-21-29-19(30-36-21)20(33)28-11-22(25,26)27/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,28,33)(H,29,30,31)/t12-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | 25 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl... |
US Patent US10065945 (2018)
BindingDB Entry DOI: 10.7270/Q24X59TJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178456
(CHEMBL202120 | N-(3-fluorobenzyl)-6-(4-ethoxypheny...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc(F)c3)c2c1C Show InChI InChI=1S/C24H25FN4O/c1-5-30-21-11-9-20(10-12-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-7-6-8-19(25)13-18/h6-13H,5,14H2,1-4H3,(H,26,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel |
Bioorg Med Chem Lett 16: 746-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178458
(6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-4,5,7-trimeth...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccc4[nH]ccc4c3)c2c1C Show InChI InChI=1S/C25H25N5O/c1-5-31-21-9-7-20(8-10-21)30-16(3)23-15(2)28-29-25(24(23)17(30)4)27-19-6-11-22-18(14-19)12-13-26-22/h6-14,26H,5H2,1-4H3,(H,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel |
Bioorg Med Chem Lett 16: 746-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178478
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-((5,6,7,8-tet...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccc4CCCNc4n3)c2c1C Show InChI InChI=1S/C26H30N6O/c1-5-33-22-12-10-21(11-13-22)32-17(3)23-16(2)30-31-26(24(23)18(32)4)28-15-20-9-8-19-7-6-14-27-25(19)29-20/h8-13H,5-7,14-15H2,1-4H3,(H,27,29)(H,28,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel |
Bioorg Med Chem Lett 16: 746-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Mus musculus (Mouse)) | BDBM50400609
(CHEMBL2203433)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CCNCC4)cn3)cc2)no1 Show InChI InChI=1S/C25H30N6O4/c1-25(2,3)21-14-22(31-35-21)30-24(33)29-17-6-4-16(5-7-17)28-23(32)20-9-8-19(15-27-20)34-18-10-12-26-13-11-18/h4-9,14-15,18,26H,10-13H2,1-3H3,(H,28,32)(H2,29,30,31,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35.7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333480
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoxy- ...)Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C30H36N6O6/c1-30(2,3)26-18-27(35-42-26)34-29(37)33-20-7-5-8-21(15-20)41-28-22-16-25(24(38-4)17-23(22)31-19-32-28)40-12-6-9-36-10-13-39-14-11-36/h5,7-8,15-19H,6,9-14H2,1-4H3,(H2,33,34,35,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences Corporation
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant-dependent MEK phosphorylation in A375 cells |
Bioorg Med Chem Lett 21: 5342-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.019
BindingDB Entry DOI: 10.7270/Q24T6N6Z |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178454
(6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-4,5,7-trime...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccc4[nH]ncc4c3)c2c1C Show InChI InChI=1S/C24H24N6O/c1-5-31-20-9-7-19(8-10-20)30-15(3)22-14(2)27-29-24(23(22)16(30)4)26-18-6-11-21-17(12-18)13-25-28-21/h6-13H,5H2,1-4H3,(H,25,28)(H,26,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel |
Bioorg Med Chem Lett 16: 746-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Mus musculus (Mouse)) | BDBM50400614
(CHEMBL2203426)Show SMILES CCN1CCC(CC1)c1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O3/c1-5-33-14-12-18(13-15-33)19-6-11-22(28-17-19)25(34)29-20-7-9-21(10-8-20)30-26(35)31-24-16-23(36-32-24)27(2,3)4/h6-11,16-18H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178480
(CHEMBL201824 | N-(3-chlorobenzyl)-6-(4-ethoxypheny...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc(Cl)c3)c2c1C Show InChI InChI=1S/C24H25ClN4O/c1-5-30-21-11-9-20(10-12-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-7-6-8-19(25)13-18/h6-13H,5,14H2,1-4H3,(H,26,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel |
Bioorg Med Chem Lett 16: 746-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50140659
(CHEMBL287371 | [6-(4-Ethoxy-phenyl)-4,5,7-trimethy...)Show InChI InChI=1S/C18H22N4O/c1-6-23-15-9-7-14(8-10-15)22-12(3)16-11(2)20-21-18(19-5)17(16)13(22)4/h7-10H,6H2,1-5H3,(H,19,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin |
Bioorg Med Chem Lett 14: 1295-8 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Mus musculus (Mouse)) | BDBM50400601
(CHEMBL2203434)Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Mus musculus (Mouse)) | BDBM50400602
(CHEMBL2206278)Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46.3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178459
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-((tetrahydrof...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCC3CCCO3)c2c1C Show InChI InChI=1S/C22H28N4O2/c1-5-27-18-10-8-17(9-11-18)26-15(3)20-14(2)24-25-22(21(20)16(26)4)23-13-19-7-6-12-28-19/h8-11,19H,5-7,12-13H2,1-4H3,(H,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel |
Bioorg Med Chem Lett 16: 746-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Mus musculus (Mouse)) | BDBM50400600
(CHEMBL2206277)Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50.4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333478
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoxy- ...)Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCN1CCOCC1 Show InChI InChI=1S/C29H34N6O6/c1-29(2,3)25-17-26(34-41-25)33-28(36)32-19-6-5-7-20(14-19)40-27-21-15-24(23(37-4)16-22(21)30-18-31-27)39-13-10-35-8-11-38-12-9-35/h5-7,14-18H,8-13H2,1-4H3,(H2,32,33,34,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences Corporation
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant-dependent MEK phosphorylation in A375 cells |
Bioorg Med Chem Lett 21: 5342-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.019
BindingDB Entry DOI: 10.7270/Q24T6N6Z |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Mus musculus (Mouse)) | BDBM50310628
(AB-460 | CHEMBL1081509 | N-(4-(3-(5-tert-butylisox...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1 Show InChI InChI=1S/C24H23N5O3/c1-24(2,3)20-13-21(29-32-20)28-23(31)27-18-10-8-17(9-11-18)26-22(30)19-12-15-6-4-5-7-16(15)14-25-19/h4-14H,1-3H3,(H,26,30)(H2,27,28,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178468
(CHEMBL382960 | N-(2,3-dihydro-1H-inden-1-yl)-6-(4-...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NC3CCc4ccccc34)c2c1C Show InChI InChI=1S/C26H28N4O/c1-5-31-21-13-11-20(12-14-21)30-17(3)24-16(2)28-29-26(25(24)18(30)4)27-23-15-10-19-8-6-7-9-22(19)23/h6-9,11-14,23H,5,10,15H2,1-4H3,(H,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel |
Bioorg Med Chem Lett 16: 746-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333473
(1-(5-tert- butylisoxazol- 3-yl)-3-{3- [7-methoxy- ...)Show SMILES COCCOc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OC Show InChI InChI=1S/C26H29N5O6/c1-26(2,3)22-14-23(31-37-22)30-25(32)29-16-7-6-8-17(11-16)36-24-18-12-21(35-10-9-33-4)20(34-5)13-19(18)27-15-28-24/h6-8,11-15H,9-10H2,1-5H3,(H2,29,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences Corporation
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant-dependent MEK phosphorylation in A375 cells |
Bioorg Med Chem Lett 21: 5342-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.019
BindingDB Entry DOI: 10.7270/Q24T6N6Z |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178462
(CHEMBL201818 | N-butyl-6-(4-ethoxyphenyl)-4,5,7-tr...)Show SMILES CCCCNc1nnc(C)c2c(C)n(c(C)c12)-c1ccc(OCC)cc1 Show InChI InChI=1S/C21H28N4O/c1-6-8-13-22-21-20-16(5)25(15(4)19(20)14(3)23-24-21)17-9-11-18(12-10-17)26-7-2/h9-12H,6-8,13H2,1-5H3,(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel |
Bioorg Med Chem Lett 16: 746-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333445
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6,7- dimeth...)Show SMILES COc1cc2ncnc(Oc3cc(NC(=O)Nc4cc(on4)C(C)(C)C)ccc3F)c2cc1OC Show InChI InChI=1S/C24H24FN5O5/c1-24(2,3)20-11-21(30-35-20)29-23(31)28-13-6-7-15(25)17(8-13)34-22-14-9-18(32-4)19(33-5)10-16(14)26-12-27-22/h6-12H,1-5H3,(H2,28,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences Corporation
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant-dependent MEK phosphorylation in A375 cells |
Bioorg Med Chem Lett 21: 5342-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.019
BindingDB Entry DOI: 10.7270/Q24T6N6Z |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178486
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(quinolin-8-y...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc4cccnc34)c2c1C Show InChI InChI=1S/C27H27N5O/c1-5-33-23-13-11-22(12-14-23)32-18(3)24-17(2)30-31-27(25(24)19(32)4)29-16-21-9-6-8-20-10-7-15-28-26(20)21/h6-15H,5,16H2,1-4H3,(H,29,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel |
Bioorg Med Chem Lett 16: 746-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Mus musculus (Mouse)) | BDBM50400613
(CHEMBL2203429)Show SMILES Cc1ccnc(c1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C21H23N5O3/c1-13-9-10-22-16(11-13)19(27)23-14-5-7-15(8-6-14)24-20(28)25-18-12-17(29-26-18)21(2,3)4/h5-12H,1-4H3,(H,23,27)(H2,24,25,26,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178467
(1-(6-ethoxy-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyrid...)Show InChI InChI=1S/C17H25N7O/c1-6-23-10-14(9-19-23)8-18-21-17-16-13(5)24(25-7-2)12(4)15(16)11(3)20-22-17/h9-10,18H,6-8H2,1-5H3,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel |
Bioorg Med Chem Lett 16: 746-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Mus musculus (Mouse)) | BDBM50400606
(CHEMBL2203437)Show SMILES CC(C)(C)N1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C29H38N6O4/c1-28(2,3)24-17-25(34-39-24)33-27(37)32-20-9-7-19(8-10-20)31-26(36)23-12-11-22(18-30-23)38-21-13-15-35(16-14-21)29(4,5)6/h7-12,17-18,21H,13-16H2,1-6H3,(H,31,36)(H2,32,33,34,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64.4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178481
(CHEMBL202603 | N-(4-chlorobenzyl)-6-(4-ethoxypheny...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccc(Cl)cc3)c2c1C Show InChI InChI=1S/C24H25ClN4O/c1-5-30-21-12-10-20(11-13-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-6-8-19(25)9-7-18/h6-13H,5,14H2,1-4H3,(H,26,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel |
Bioorg Med Chem Lett 16: 746-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178484
(6-(4-ethoxyphenyl)-N-isopropyl-4,5,7-trimethyl-6H-...)Show InChI InChI=1S/C20H26N4O/c1-7-25-17-10-8-16(9-11-17)24-14(5)18-13(4)22-23-20(21-12(2)3)19(18)15(24)6/h8-12H,7H2,1-6H3,(H,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel |
Bioorg Med Chem Lett 16: 746-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Mus musculus (Mouse)) | BDBM50400604
(CHEMBL2203427)Show SMILES CCN1CCC(Cc2ccc(nc2)C(=O)Nc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1 Show InChI InChI=1S/C28H36N6O3/c1-5-34-14-12-19(13-15-34)16-20-6-11-23(29-18-20)26(35)30-21-7-9-22(10-8-21)31-27(36)32-25-17-24(37-33-25)28(2,3)4/h6-11,17-19H,5,12-16H2,1-4H3,(H,30,35)(H2,31,32,33,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67.4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay |
ACS Med Chem Lett 3: 997-1002 (2012)
Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178465
(CHEMBL381840 | N-((4-cyclopropyl-1H-pyrazol-3-yl)m...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3[nH]ncc3C3CC3)c2c1C Show InChI InChI=1S/C24H28N6O/c1-5-31-19-10-8-18(9-11-19)30-15(3)22-14(2)27-29-24(23(22)16(30)4)25-13-21-20(12-26-28-21)17-6-7-17/h8-12,17H,5-7,13H2,1-4H3,(H,25,29)(H,26,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel |
Bioorg Med Chem Lett 16: 746-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178449
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-((1-methyl-1H...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cnn(C)c3)c2c1C Show InChI InChI=1S/C22H26N6O/c1-6-29-19-9-7-18(8-10-19)28-15(3)20-14(2)25-26-22(21(20)16(28)4)23-11-17-12-24-27(5)13-17/h7-10,12-13H,6,11H2,1-5H3,(H,23,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel |
Bioorg Med Chem Lett 16: 746-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M |
More data for this
Ligand-Target Pair | |
Voltage-dependent calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM50178475
(CHEMBL201992 | N-((1H-indol-4-yl)methyl)-6-(4-etho...)Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc4[nH]ccc34)c2c1C Show InChI InChI=1S/C26H27N5O/c1-5-32-21-11-9-20(10-12-21)31-17(3)24-16(2)29-30-26(25(24)18(31)4)28-15-19-7-6-8-23-22(19)13-14-27-23/h6-14,27H,5,15H2,1-4H3,(H,28,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel |
Bioorg Med Chem Lett 16: 746-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M |
More data for this
Ligand-Target Pair | |
Search and Browse
