Found 322 hits with Last Name = 'ahn' and Initial = 'ym' 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 |
|---|
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50378579
(CHEMBL1627258)Show SMILES CS(=O)(CC(=N)C(O)=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H22N7O9PS/c1-32(28,3-6(15)14(24)25)20-31(26,27)29-2-7-9(22)10(23)13(30-7)21-5-19-8-11(16)17-4-18-12(8)21/h4-5,7,9-10,13,15,22-23,32H,2-3H2,1H3,(H,24,25)(H2,16,17,18)(H2,20,26,27,28)/t7-,9-,10-,13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as overall inhibition constant for ammonia dependent production of i... |
Bioorg Med Chem 20: 5915-27 (2012)
Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this
Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50392270
(CHEMBL2153507)Show SMILES CS(=O)(NP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CC[NH3+] |r| Show InChI InChI=1S/C13H22N7O7PS/c1-29(25,3-2-14)19-28(23,24)26-4-7-9(21)10(22)13(27-7)20-6-18-8-11(15)16-5-17-12(8)20/h3,5-7,9-10,13,21-22H,2,4,14H2,1H3,(H2,15,16,17)(H2,19,23,24,25)/t7-,9-,10-,13-,29?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as overall inhibition constant for glutamine dependent production of inorganic p... |
Bioorg Med Chem 20: 5915-27 (2012)
Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this
Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50378579
(CHEMBL1627258)Show SMILES CS(=O)(CC(=N)C(O)=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H22N7O9PS/c1-32(28,3-6(15)14(24)25)20-31(26,27)29-2-7-9(22)10(23)13(30-7)21-5-19-8-11(16)17-4-18-12(8)21/h4-5,7,9-10,13,15,22-23,32H,2-3H2,1H3,(H,24,25)(H2,16,17,18)(H2,20,26,27,28)/t7-,9-,10-,13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC sid
UniChem
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as overall inhibition constant for glutamine dependent production of inorganic p... |
Bioorg Med Chem 20: 5915-27 (2012)
Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this
Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50392270
(CHEMBL2153507)Show SMILES CS(=O)(NP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CC[NH3+] |r| Show InChI InChI=1S/C13H22N7O7PS/c1-29(25,3-2-14)19-28(23,24)26-4-7-9(21)10(22)13(27-7)20-6-18-8-11(15)16-5-17-12(8)20/h3,5-7,9-10,13,21-22H,2,4,14H2,1H3,(H2,15,16,17)(H2,19,23,24,25)/t7-,9-,10-,13-,29?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as overall inhibition constant for ammonia dependent production of i... |
Bioorg Med Chem 20: 5915-27 (2012)
Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this
Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50378579
(CHEMBL1627258)Show SMILES CS(=O)(CC(=N)C(O)=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H22N7O9PS/c1-32(28,3-6(15)14(24)25)20-31(26,27)29-2-7-9(22)10(23)13(30-7)21-5-19-8-11(16)17-4-18-12(8)21/h4-5,7,9-10,13,15,22-23,32H,2-3H2,1H3,(H,24,25)(H2,16,17,18)(H2,20,26,27,28)/t7-,9-,10-,13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC sid
UniChem
Similars
| Article
PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as initial inhibition constant for ammonia dependent production of i... |
Bioorg Med Chem 20: 5915-27 (2012)
Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this
Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50392271
(CHEMBL2153508)Show SMILES CS(=O)(NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CCC(O)=O |r| Show InChI InChI=1S/C14H21N6O9PS/c1-31(27,3-2-8(21)22)19-30(25,26)28-4-7-10(23)11(24)14(29-7)20-6-18-9-12(15)16-5-17-13(9)20/h3,5-7,10-11,14,23-24H,2,4H2,1H3,(H,21,22)(H2,15,16,17)(H2,19,25,26,27)/t7-,10-,11-,14-,31?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as overall inhibition constant for ammonia dependent production of i... |
Bioorg Med Chem 20: 5915-27 (2012)
Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this
Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50392270
(CHEMBL2153507)Show SMILES CS(=O)(NP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CC[NH3+] |r| Show InChI InChI=1S/C13H22N7O7PS/c1-29(25,3-2-14)19-28(23,24)26-4-7-9(21)10(22)13(27-7)20-6-18-8-11(15)16-5-17-12(8)20/h3,5-7,9-10,13,21-22H,2,4,14H2,1H3,(H2,15,16,17)(H2,19,23,24,25)/t7-,9-,10-,13-,29?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as initial inhibition constant for ammonia dependent production of i... |
Bioorg Med Chem 20: 5915-27 (2012)
Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this
Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50392270
(CHEMBL2153507)Show SMILES CS(=O)(NP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CC[NH3+] |r| Show InChI InChI=1S/C13H22N7O7PS/c1-29(25,3-2-14)19-28(23,24)26-4-7-9(21)10(22)13(27-7)20-6-18-8-11(15)16-5-17-12(8)20/h3,5-7,9-10,13,21-22H,2,4,14H2,1H3,(H2,15,16,17)(H2,19,23,24,25)/t7-,9-,10-,13-,29?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as initial inhibition constant for glutamine dependent production of inorganic p... |
Bioorg Med Chem 20: 5915-27 (2012)
Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this
Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50392271
(CHEMBL2153508)Show SMILES CS(=O)(NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CCC(O)=O |r| Show InChI InChI=1S/C14H21N6O9PS/c1-31(27,3-2-8(21)22)19-30(25,26)28-4-7-10(23)11(24)14(29-7)20-6-18-9-12(15)16-5-17-13(9)20/h3,5-7,10-11,14,23-24H,2,4H2,1H3,(H,21,22)(H2,15,16,17)(H2,19,25,26,27)/t7-,10-,11-,14-,31?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as overall inhibition constant for glutamine dependent production of inorganic p... |
Bioorg Med Chem 20: 5915-27 (2012)
Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this
Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50378579
(CHEMBL1627258)Show SMILES CS(=O)(CC(=N)C(O)=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H22N7O9PS/c1-32(28,3-6(15)14(24)25)20-31(26,27)29-2-7-9(22)10(23)13(30-7)21-5-19-8-11(16)17-4-18-12(8)21/h4-5,7,9-10,13,15,22-23,32H,2-3H2,1H3,(H,24,25)(H2,16,17,18)(H2,20,26,27,28)/t7-,9-,10-,13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as initial inhibition constant for glutamine dependent production of inorganic p... |
Bioorg Med Chem 20: 5915-27 (2012)
Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this
Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50392271
(CHEMBL2153508)Show SMILES CS(=O)(NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CCC(O)=O |r| Show InChI InChI=1S/C14H21N6O9PS/c1-31(27,3-2-8(21)22)19-30(25,26)28-4-7-10(23)11(24)14(29-7)20-6-18-9-12(15)16-5-17-13(9)20/h3,5-7,10-11,14,23-24H,2,4H2,1H3,(H,21,22)(H2,15,16,17)(H2,19,25,26,27)/t7-,10-,11-,14-,31?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as initial inhibition constant for ammonia dependent production of i... |
Bioorg Med Chem 20: 5915-27 (2012)
Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this
Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50392271
(CHEMBL2153508)Show SMILES CS(=O)(NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CCC(O)=O |r| Show InChI InChI=1S/C14H21N6O9PS/c1-31(27,3-2-8(21)22)19-30(25,26)28-4-7-10(23)11(24)14(29-7)20-6-18-9-12(15)16-5-17-13(9)20/h3,5-7,10-11,14,23-24H,2,4H2,1H3,(H,21,22)(H2,15,16,17)(H2,19,25,26,27)/t7-,10-,11-,14-,31?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as initial inhibition constant for glutamine dependent production of inorganic p... |
Bioorg Med Chem 20: 5915-27 (2012)
Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50096333
(CHEMBL3577114)Show SMILES CNc1cc2n([C@H]3CCOC3)c(=O)c(cc2cn1)-c1ccc(F)c(NC(=O)Nc2cc(no2)C(C)(C)C)c1 |r| Show InChI InChI=1S/C21H13F2N3O/c22-14-8-10-18-16(13-14)21(27)26(19-7-2-1-6-17(19)23)20(25-18)11-9-15-5-3-4-12-24-15/h1-13H/b11-9+ | PDB
MMDB
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 | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096333
(CHEMBL3577114)Show SMILES CNc1cc2n([C@H]3CCOC3)c(=O)c(cc2cn1)-c1ccc(F)c(NC(=O)Nc2cc(no2)C(C)(C)C)c1 |r| Show InChI InChI=1S/C21H13F2N3O/c22-14-8-10-18-16(13-14)21(27)26(19-7-2-1-6-17(19)23)20(25-18)11-9-15-5-3-4-12-24-15/h1-13H/b11-9+ | PDB
MMDB
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 |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096332
(CHEMBL3577115)Show SMILES CCn1c2cc(NC)ncc2cc(-c2ccc(F)c(NC(=O)Nc3cc(no3)C(C)(C)C)c2)c1=O Show InChI InChI=1S/C22H15ClFN3O2/c23-18-6-1-2-7-20(18)27-21(11-9-15-4-3-5-16(13-28)25-15)26-19-10-8-14(24)12-17(19)22(27)29/h1-12,28H,13H2/b11-9+ | PDB
MMDB
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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50096323
(CHEMBL3577123)Show SMILES CNc1ncc2cc(cnc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C22H17N3O2/c1-27-20-12-5-4-11-19(20)25-21(14-13-16-8-6-7-15-23-16)24-18-10-3-2-9-17(18)22(25)26/h2-15H,1H3/b14-13+ | PDB
MMDB
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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50096325
(CHEMBL3577120)Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1 Show InChI InChI=1S/C22H16ClN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-14-16(23)9-11-18(19)22(26)27/h2-14H,1H3/b12-10+ | PDB
MMDB
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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50589660
(CHEMBL5193071)Show SMILES CC(C)Nc1ncc(-c2ccc(Oc3ccnc(c3)-c3cnn(C)c3)c(C)n2)c(=O)[nH]1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| |
J Med Chem 48: 680-93 (2005)
Article DOI: 10.1016/j.bmcl.2022.128928
BindingDB Entry DOI: 10.7270/Q2FN1B5Z |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50177716
(CHEMBL3813873 | US11679110, Compound Pexidartinib ...)Show SMILES FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 Show InChI InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| |
J Med Chem 48: 680-93 (2005)
Article DOI: 10.1016/j.bmcl.2022.128928
BindingDB Entry DOI: 10.7270/Q2FN1B5Z |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50096332
(CHEMBL3577115)Show SMILES CCn1c2cc(NC)ncc2cc(-c2ccc(F)c(NC(=O)Nc3cc(no3)C(C)(C)C)c2)c1=O Show InChI InChI=1S/C22H15ClFN3O2/c23-18-6-1-2-7-20(18)27-21(11-9-15-4-3-5-16(13-28)25-15)26-19-10-8-14(24)12-17(19)22(27)29/h1-12,28H,13H2/b11-9+ | PDB
MMDB
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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096323
(CHEMBL3577123)Show SMILES CNc1ncc2cc(cnc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C22H17N3O2/c1-27-20-12-5-4-11-19(20)25-21(14-13-16-8-6-7-15-23-16)24-18-10-3-2-9-17(18)22(25)26/h2-15H,1H3/b14-13+ | PDB
MMDB
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 |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50589670
(CHEMBL5183210)Show SMILES Cc1nc(ccc1Oc1ccnc(c1)-c1cnn(C)c1)-c1cnc(NC2CC2)n(C)c1=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| |
J Med Chem 48: 680-93 (2005)
Article DOI: 10.1016/j.bmcl.2022.128928
BindingDB Entry DOI: 10.7270/Q2FN1B5Z |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50096328
(CHEMBL3577119)Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1 Show InChI InChI=1S/C22H16ClN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-11-9-16(23)14-18(19)22(26)27/h2-14H,1H3/b12-10+ | PDB
MMDB
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 | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50096332
(CHEMBL3577115)Show SMILES CCn1c2cc(NC)ncc2cc(-c2ccc(F)c(NC(=O)Nc3cc(no3)C(C)(C)C)c2)c1=O Show InChI InChI=1S/C22H15ClFN3O2/c23-18-6-1-2-7-20(18)27-21(11-9-15-4-3-5-16(13-28)25-15)26-19-10-8-14(24)12-17(19)22(27)29/h1-12,28H,13H2/b11-9+ | PDB
MMDB
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 | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50589669
(DCC-3014 | DP-6865 | Dcc-3014 | US11679110, Compou...)Show SMILES CC(C)Nc1ncc(-c2ccc(Oc3ccnc(c3)-c3cnn(C)c3)c(C)n2)c(=O)n1C | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| |
J Med Chem 48: 680-93 (2005)
Article DOI: 10.1016/j.bmcl.2022.128928
BindingDB Entry DOI: 10.7270/Q2FN1B5Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096325
(CHEMBL3577120)Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1 Show InChI InChI=1S/C22H16ClN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-14-16(23)9-11-18(19)22(26)27/h2-14H,1H3/b12-10+ | PDB
MMDB
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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50096333
(CHEMBL3577114)Show SMILES CNc1cc2n([C@H]3CCOC3)c(=O)c(cc2cn1)-c1ccc(F)c(NC(=O)Nc2cc(no2)C(C)(C)C)c1 |r| Show InChI InChI=1S/C21H13F2N3O/c22-14-8-10-18-16(13-14)21(27)26(19-7-2-1-6-17(19)23)20(25-18)11-9-15-5-3-4-12-24-15/h1-13H/b11-9+ | PDB
MMDB
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 | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50589661
(CHEMBL5200885)Show SMILES Cc1nc(ccc1Oc1ccnc(c1)-c1cnn(C)c1)-c1cnc(NC2CC2)[nH]c1=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| |
J Med Chem 48: 680-93 (2005)
Article DOI: 10.1016/j.bmcl.2022.128928
BindingDB Entry DOI: 10.7270/Q2FN1B5Z |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50589669
(DCC-3014 | DP-6865 | Dcc-3014 | US11679110, Compou...)Show SMILES CC(C)Nc1ncc(-c2ccc(Oc3ccnc(c3)-c3cnn(C)c3)c(C)n2)c(=O)n1C | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| |
J Med Chem 48: 680-93 (2005)
Article DOI: 10.1016/j.bmcl.2022.128928
BindingDB Entry DOI: 10.7270/Q2FN1B5Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096331
(CHEMBL3577116)Show SMILES CCn1c2cc(NC)ncc2cc(-c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C)c1=O Show InChI InChI=1S/C21H14ClN3O/c22-17-9-2-4-11-19(17)25-20(13-12-15-7-5-6-14-23-15)24-18-10-3-1-8-16(18)21(25)26/h1-14H/b13-12+ | PDB
MMDB
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 | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50096279
(CHEMBL3577124)Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096329
(CHEMBL3577118)Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)ccc1C Show InChI InChI=1S/C22H16ClN3O/c1-15-7-2-3-11-19(15)26-20(13-12-16-8-4-5-14-24-16)25-21-17(22(26)27)9-6-10-18(21)23/h2-14H,1H3/b13-12+ | PDB
MMDB
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 | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096323
(CHEMBL3577123)Show SMILES CNc1ncc2cc(cnc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C22H17N3O2/c1-27-20-12-5-4-11-19(20)25-21(14-13-16-8-6-7-15-23-16)24-18-10-3-2-9-17(18)22(25)26/h2-15H,1H3/b14-13+ | PDB
MMDB
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 | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of wild type BRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50589662
(CHEMBL5192630)Show SMILES Cc1nc(ccc1Oc1ccnc(c1)-c1cnn(C)c1)-c1cnc(NC2CCCC2)[nH]c1=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| |
J Med Chem 48: 680-93 (2005)
Article DOI: 10.1016/j.bmcl.2022.128928
BindingDB Entry DOI: 10.7270/Q2FN1B5Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50328774
(2-(3-(3-cyclopentyl-5-(3-(2,3-dichlorophenyl)ureid...)Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C1CCCC1 Show InChI InChI=1S/C23H23Cl2N5O2/c24-17-9-4-10-18(22(17)25)27-23(32)28-21-13-19(15-6-1-2-7-15)29-30(21)16-8-3-5-14(11-16)12-20(26)31/h3-5,8-11,13,15H,1-2,6-7,12H2,(H2,26,31)(H2,27,28,32) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Deciphera Pharmaceuticals LLC
Curated by ChEMBL
| Assay Description
Binding affinity to unphosphorylated p38alpha by fluoroprobe binding assay |
Bioorg Med Chem Lett 20: 5793-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50096331
(CHEMBL3577116)Show SMILES CCn1c2cc(NC)ncc2cc(-c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C)c1=O Show InChI InChI=1S/C21H14ClN3O/c22-17-9-2-4-11-19(17)25-20(13-12-15-7-5-6-14-23-15)24-18-10-3-1-8-16(18)21(25)26/h1-14H/b13-12+ | PDB
MMDB
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 | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50096324
(CHEMBL3577121)Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C26H22ClFN4O/c27-21-8-2-3-9-23(21)32-25(30-22-13-11-18(28)17-20(22)26(32)33)14-12-19-7-6-10-24(29-19)31-15-4-1-5-16-31/h2-3,6-14,17H,1,4-5,15-16H2/b14-12+ | PDB
MMDB
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 | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096279
(CHEMBL3577124)Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50428286
(DABRAFENIB | GSK2118436A)Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Competitive binding affinity to BRAF in human A375 cells after 15 mins in presence of ATP analogue |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50396483
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50096329
(CHEMBL3577118)Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)ccc1C Show InChI InChI=1S/C22H16ClN3O/c1-15-7-2-3-11-19(15)26-20(13-12-16-8-4-5-14-24-16)25-21-17(22(26)27)9-6-10-18(21)23/h2-14H,1H3/b13-12+ | PDB
MMDB
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 | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096333
(CHEMBL3577114)Show SMILES CNc1cc2n([C@H]3CCOC3)c(=O)c(cc2cn1)-c1ccc(F)c(NC(=O)Nc2cc(no2)C(C)(C)C)c1 |r| Show InChI InChI=1S/C21H13F2N3O/c22-14-8-10-18-16(13-14)21(27)26(19-7-2-1-6-17(19)23)20(25-18)11-9-15-5-3-4-12-24-15/h1-13H/b11-9+ | PDB
MMDB
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 | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant in human A375 cells assessed as inhibition of ERK phosphorylation measured after 72 hrs by ELISA assay |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50328768
(1-(5-tert-Butyl-2-{4-[2-(1,1-dioxo-1lambda6-thiomo...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1ccc(CC(=O)N2CCS(=O)(=O)CC2)cc1 Show InChI InChI=1S/C26H29Cl2N5O4S/c1-26(2,3)21-16-22(30-25(35)29-20-6-4-5-19(27)24(20)28)33(31-21)18-9-7-17(8-10-18)15-23(34)32-11-13-38(36,37)14-12-32/h4-10,16H,11-15H2,1-3H3,(H2,29,30,35) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Deciphera Pharmaceuticals LLC
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha by fluoroprobe binding assay |
Bioorg Med Chem Lett 20: 5793-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50177716
(CHEMBL3813873 | US11679110, Compound Pexidartinib ...)Show SMILES FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 Show InChI InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| |
J Med Chem 48: 680-93 (2005)
Article DOI: 10.1016/j.bmcl.2022.128928
BindingDB Entry DOI: 10.7270/Q2FN1B5Z |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50096330
(CHEMBL3577117)Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NC[C@@H](O)C(C)(C)C)c(F)cc1C |r| Show InChI InChI=1S/C22H13ClFN3O3/c23-16-5-1-2-7-19(16)27-20(11-9-14-4-3-6-18(25-14)22(29)30)26-17-10-8-13(24)12-15(17)21(27)28/h1-12H,(H,29,30)/b11-9+ | PDB
MMDB
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 | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096328
(CHEMBL3577119)Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1 Show InChI InChI=1S/C22H16ClN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-11-9-16(23)14-18(19)22(26)27/h2-14H,1H3/b12-10+ | PDB
MMDB
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 | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096330
(CHEMBL3577117)Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NC[C@@H](O)C(C)(C)C)c(F)cc1C |r| Show InChI InChI=1S/C22H13ClFN3O3/c23-16-5-1-2-7-19(16)27-20(11-9-14-4-3-6-18(25-14)22(29)30)26-17-10-8-13(24)12-15(17)21(27)28/h1-12H,(H,29,30)/b11-9+ | PDB
MMDB
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 | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096334
(CHEMBL3577122)Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1-c1cc2cnc(N)nc2nc1C Show InChI InChI=1S/C21H13BrFN3O/c22-17-6-1-2-7-19(17)26-20(11-9-15-5-3-4-12-24-15)25-18-10-8-14(23)13-16(18)21(26)27/h1-13H/b11-9+ | PDB
MMDB
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 | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50589660
(CHEMBL5193071)Show SMILES CC(C)Nc1ncc(-c2ccc(Oc3ccnc(c3)-c3cnn(C)c3)c(C)n2)c(=O)[nH]1 | PDB
UniProtKB/SwissProt
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 |
Schering-Plough Research Institute
Curated by ChEMBL
| |
J Med Chem 48: 680-93 (2005)
Article DOI: 10.1016/j.bmcl.2022.128928
BindingDB Entry DOI: 10.7270/Q2FN1B5Z |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096325
(CHEMBL3577120)Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1 Show InChI InChI=1S/C22H16ClN3O/c1-15-6-2-3-8-20(15)26-21(12-10-17-7-4-5-13-24-17)25-19-14-16(23)9-11-18(19)22(26)27/h2-14H,1H3/b12-10+ | PDB
MMDB
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 | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Inhibition of wild type BRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ... |
J Med Chem 58: 4165-79 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85 |
More data for this
Ligand-Target Pair | |
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