Found 13302 hits with Last Name = 'faraoni' and Initial = 'r' 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 |
|---|
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 | |
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 | |
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 | |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333469
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-ethoxy-7-...)Show SMILES CCOc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OC Show InChI InChI=1S/C25H27N5O5/c1-6-33-20-11-17-18(12-19(20)32-5)26-14-27-23(17)34-16-9-7-8-15(10-16)28-24(31)29-22-13-21(35-30-22)25(2,3)4/h7-14H,6H2,1-5H3,(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 | 80 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484269
(CHEMBL1824068)Show SMILES COc1cc2ncnc(Nc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC Show InChI InChI=1S/C24H26N6O4/c1-24(2,3)20-12-21(30-34-20)29-23(31)28-15-8-6-7-14(9-15)27-22-16-10-18(32-4)19(33-5)11-17(16)25-13-26-22/h6-13H,1-5H3,(H,25,26,27)(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 | 82 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333561
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-hydroxy- ...)Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1O Show InChI InChI=1S/C23H23N5O5/c1-23(2,3)19-11-20(28-33-19)27-22(30)26-13-6-5-7-14(8-13)32-21-15-9-17(29)18(31-4)10-16(15)24-12-25-21/h5-12,29H,1-4H3,(H2,26,27,28,30) | 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 | 86 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333485
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-methoxy- ...)Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCCN1CCOCC1 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)41-28-22-16-24(38-4)25(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 | 96 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333444
(1-(5-tert- Butylisoxazol- 3-yl)-3-{3- [6-methoxy- ...)Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC 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)36-24-18-12-20(34-5)21(35-10-9-33-4)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 | 100 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333550
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-hydroxy- ...)Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1O Show InChI InChI=1S/C23H23N5O5/c1-23(2,3)19-11-20(28-33-19)27-22(30)26-13-6-5-7-14(8-13)32-21-15-9-18(31-4)17(29)10-16(15)24-12-25-21/h5-12,29H,1-4H3,(H2,26,27,28,30) | 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 | 110 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333817
(1-(5-tert- butylisoxazol- 3-yl)-3-(5-(6,7- dimetho...)Show SMILES COc1cc2ncnc(Oc3ccc(F)c(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC Show InChI InChI=1S/C24H24FN5O5/c1-24(2,3)20-11-21(30-35-20)29-23(31)28-17-8-13(6-7-15(17)25)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 | 113 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333720
(1-(5-tert- butylisoxazol- 3-yl)- 3-(5- (6,7- dimet...)Show SMILES COc1cc2ncnc(Oc3cc(NC(=O)Nc4cc(on4)C(C)(C)C)c(F)cc3F)c2cc1OC Show InChI InChI=1S/C24H23F2N5O5/c1-24(2,3)20-10-21(31-36-20)30-23(32)29-16-9-17(14(26)7-13(16)25)35-22-12-6-18(33-4)19(34-5)8-15(12)27-11-28-22/h6-11H,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 | 113 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333504
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6,7- dimeth...)Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC Show InChI InChI=1S/C24H25N5O4S/c1-24(2,3)20-12-21(29-33-20)28-23(30)27-14-7-6-8-15(9-14)34-22-16-10-18(31-4)19(32-5)11-17(16)25-13-26-22/h6-13H,1-5H3,(H2,27,28,29,30) | 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 | 118 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333442
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6,7- dimeth...)Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC Show InChI InChI=1S/C24H25N5O5/c1-24(2,3)20-12-21(29-34-20)28-23(30)27-14-7-6-8-15(9-14)33-22-16-10-18(31-4)19(32-5)11-17(16)25-13-26-22/h6-13H,1-5H3,(H2,27,28,29,30) | 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 | 121 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333493
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-methoxy- ...)Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCN1CCOCC1 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)40-27-21-15-23(37-4)24(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 | 165 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333443
(1-(5-tert- butylisoxazol- 3-yl)-3-[3- (7-ethoxy-6-...)Show SMILES CCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC Show InChI InChI=1S/C25H27N5O5/c1-6-33-20-12-18-17(11-19(20)32-5)23(27-14-26-18)34-16-9-7-8-15(10-16)28-24(31)29-22-13-21(35-30-22)25(2,3)4/h7-14H,6H2,1-5H3,(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 | 173 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333740
(1-(5-tert- butylisoxdazol- 3-yl)- 3-(3-(6,7- dimet...)Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3C)c2cc1OC Show InChI InChI=1S/C25H27N5O5/c1-14-16(28-24(31)29-22-12-21(35-30-22)25(2,3)4)8-7-9-18(14)34-23-15-10-19(32-5)20(33-6)11-17(15)26-13-27-23/h7-13H,1-6H3,(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 | 179 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333749
(1-(5-tert- butylisoxazol- 3-yl)-3- (2-chloro-5-(6,...)Show SMILES COc1cc2ncnc(Oc3ccc(Cl)c(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC Show InChI InChI=1S/C24H24ClN5O5/c1-24(2,3)20-11-21(30-35-20)29-23(31)28-17-8-13(6-7-15(17)25)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 | 229 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333624
(1-(4-tert- butylphenyl)- 3-(3-(6,7- dimethoxy- qui...)Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4ccc(cc4)C(C)(C)C)c3)c2cc1OC Show InChI InChI=1S/C27H28N4O4/c1-27(2,3)17-9-11-18(12-10-17)30-26(32)31-19-7-6-8-20(13-19)35-25-21-14-23(33-4)24(34-5)15-22(21)28-16-29-25/h6-16H,1-5H3,(H2,30,31,32) | 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 | 290 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333474
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoxy- ...)Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCN1CCCCC1 Show InChI InChI=1S/C30H36N6O5/c1-30(2,3)26-18-27(35-41-26)34-29(37)33-20-9-8-10-21(15-20)40-28-22-16-25(24(38-4)17-23(22)31-19-32-28)39-14-13-36-11-6-5-7-12-36/h8-10,15-19H,5-7,11-14H2,1-4H3,(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 | 293 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333571
(1-(3-tert- butylphenyl)- 3-(3-(6,7- dimethoxy- qui...)Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C)c3)c2cc1OC Show InChI InChI=1S/C27H28N4O4/c1-27(2,3)17-8-6-9-18(12-17)30-26(32)31-19-10-7-11-20(13-19)35-25-21-14-23(33-4)24(34-5)15-22(21)28-16-29-25/h6-16H,1-5H3,(H2,30,31,32) | 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 | 333 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333627
(1-(4-chloro-3- (trifluoromethyl) phenyl)- 3-(3-(6,...)Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C24H18ClF3N4O4/c1-34-20-10-16-19(11-21(20)35-2)29-12-30-22(16)36-15-5-3-4-13(8-15)31-23(33)32-14-6-7-18(25)17(9-14)24(26,27)28/h3-12H,1-2H3,(H2,31,32,33) | 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 | 696 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333632
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C24H19F3N4O4/c1-33-20-11-18-19(12-21(20)34-2)28-13-29-22(18)35-17-8-4-7-16(10-17)31-23(32)30-15-6-3-5-14(9-15)24(25,26)27/h3-13H,1-2H3,(H2,30,31,32) | 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 | 1.66E+3 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333626
(1-(4- chlorophenyl)-3- (3-(6,7- dimethoxy- quinazo...)Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4ccc(Cl)cc4)c3)c2cc1OC Show InChI InChI=1S/C23H19ClN4O4/c1-30-20-11-18-19(12-21(20)31-2)25-13-26-22(18)32-17-5-3-4-16(10-17)28-23(29)27-15-8-6-14(24)7-9-15/h3-13H,1-2H3,(H2,27,28,29) | 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 | 1.85E+3 | 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 | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50382959
(CEP-32496 | CHEMBL2029988 | US9730937, Example 261)Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33) | PDB
MMDB
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KEGG
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
J Med Chem 55: 1082-105 (2012)
Article DOI: 10.1021/jm2009925
BindingDB Entry DOI: 10.7270/Q2571D2T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 6.60E+3 | 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 | 
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM333629
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)Show SMILES COc1cccc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)c1 Show InChI InChI=1S/C24H22N4O5/c1-30-17-8-4-6-15(10-17)27-24(29)28-16-7-5-9-18(11-16)33-23-19-12-21(31-2)22(32-3)13-20(19)25-14-26-23/h4-14H,1-3H3,(H2,27,28,29) | 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 | 1.00E+4 | 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 | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50382959
(CEP-32496 | CHEMBL2029988 | US9730937, Example 261)Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
J Med Chem 55: 1082-105 (2012)
Article DOI: 10.1021/jm2009925
BindingDB Entry DOI: 10.7270/Q2571D2T |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50382959
(CEP-32496 | CHEMBL2029988 | US9730937, Example 261)Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 55: 1082-105 (2012)
Article DOI: 10.1021/jm2009925
BindingDB Entry DOI: 10.7270/Q2571D2T |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50382959
(CEP-32496 | CHEMBL2029988 | US9730937, Example 261)Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
J Med Chem 55: 1082-105 (2012)
Article DOI: 10.1021/jm2009925
BindingDB Entry DOI: 10.7270/Q2571D2T |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50382959
(CEP-32496 | CHEMBL2029988 | US9730937, Example 261)Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33) | PDB
UniProtKB/SwissProt
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 55: 1082-105 (2012)
Article DOI: 10.1021/jm2009925
BindingDB Entry DOI: 10.7270/Q2571D2T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50340933
(1-(3-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)-3-ph...)Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4ccccc4)c3)c2cc1OC Show InChI InChI=1S/C23H20N4O4/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)31-17-10-6-9-16(11-17)27-23(28)26-15-7-4-3-5-8-15/h3-14H,1-2H3,(H2,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.50E+4 | 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 | |
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
MMDB
Reactome pathway
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CHEMBL
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PC cid
PC sid
PDB
UniChem
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| Article
PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PHKG2 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
(Homo sapiens (Human)) | BDBM13535
(4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin...)Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 Show InChI InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38) | PDB
MMDB
Reactome pathway
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CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PHKG2 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for CAMK2A kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM13336
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for CAMK2A kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for CAMK2A kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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| n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for CAMK2A kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM15244
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)| Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for CAMK2A kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit beta
(Homo sapiens (Human)) | BDBM50110208
(4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1...)Show SMILES NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1 Show InChI InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for CAMK2B kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit beta
(Homo sapiens (Human)) | BDBM21079
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for CAMK2B kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit beta
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for CAMK2B kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit beta
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for CAMK2B kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit beta
(Homo sapiens (Human)) | BDBM31088
(1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-y...)Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12 Show InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for CAMK2B kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit beta
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for CAMK2B kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit beta
(Homo sapiens (Human)) | BDBM17055
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10| Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1 | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for CAMK2B kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit beta
(Homo sapiens (Human)) | BDBM31093
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for CAMK2B kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit beta
(Homo sapiens (Human)) | BDBM4851
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for CAMK2B kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit beta
(Homo sapiens (Human)) | BDBM13531
(4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...)Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for CAMK2B kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 1
(Homo sapiens (Human)) | BDBM21079
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for CAMKK1 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
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