Found 291 hits with Last Name = 'roman' and Initial = 'e' 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)) | BDBM50480108
(CHEMBL496009)Show SMILES CSc1cc(Oc2ccnc3[nH]c(=O)[nH]c23)ccc1NC(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O3S/c1-33-16-10-13(32-15-7-8-25-18-17(15)28-20(31)29-18)5-6-14(16)27-19(30)26-12-4-2-3-11(9-12)21(22,23)24/h2-10H,1H3,(H2,26,27,30)(H2,25,28,29,31) | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480105
(CHEMBL496201)Show SMILES CSc1cc(Oc2ccnc3[nH]c(=O)[nH]c23)ccc1NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C21H15ClF3N5O3S/c1-34-16-9-11(33-15-6-7-26-18-17(15)29-20(32)30-18)3-5-14(16)28-19(31)27-10-2-4-13(22)12(8-10)21(23,24)25/h2-9H,1H3,(H2,27,28,31)(H2,26,29,30,32) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480091
(CHEMBL523753)Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ccccc23)c1 Show InChI InChI=1S/C24H16F3N5O3/c25-24(26,27)13-4-3-5-14(12-13)29-22(33)30-17-8-9-18(16-7-2-1-6-15(16)17)35-19-10-11-28-21-20(19)31-23(34)32-21/h1-12H,(H2,29,30,33)(H2,28,31,32,34) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480123
(CHEMBL496612)Show SMILES Fc1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2F)cc(c1)C(F)(F)F Show InChI InChI=1S/C20H12F5N5O3/c21-10-5-9(20(23,24)25)6-11(7-10)27-18(31)28-14-2-1-12(8-13(14)22)33-15-3-4-26-17-16(15)29-19(32)30-17/h1-8H,(H2,27,28,31)(H2,26,29,30,32) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480092
(CHEMBL522072)Show SMILES Fc1cc(Oc2ccnc3[nH]c(=O)[nH]c23)ccc1NC(=O)Nc1cccc(SC(F)(F)F)c1 Show InChI InChI=1S/C20H13F4N5O3S/c21-13-9-11(32-15-6-7-25-17-16(15)28-19(31)29-17)4-5-14(13)27-18(30)26-10-2-1-3-12(8-10)33-20(22,23)24/h1-9H,(H2,26,27,30)(H2,25,28,29,31) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480112
(CHEMBL496020)Show SMILES Fc1cc(Oc2ccnc3[nH]c(=O)[nH]c23)ccc1NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C20H12ClF4N5O3/c21-12-3-1-9(7-11(12)20(23,24)25)27-18(31)28-14-4-2-10(8-13(14)22)33-15-5-6-26-17-16(15)29-19(32)30-17/h1-8H,(H2,27,28,31)(H2,26,29,30,32) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480093
(CHEMBL487717)Show SMILES Cn1c2c(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c4ccccc34)ccnc2[nH]c1=O Show InChI InChI=1S/C25H18F3N5O3/c1-33-21-20(11-12-29-22(21)32-24(33)35)36-19-10-9-18(16-7-2-3-8-17(16)19)31-23(34)30-15-6-4-5-14(13-15)25(26,27)28/h2-13H,1H3,(H,29,32,35)(H2,30,31,34) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480124
(CHEMBL496202)Show SMILES CSc1cc(Oc2ccnc3[nH]c(=O)[nH]c23)ccc1NC(=O)Nc1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C21H15F4N5O3S/c1-34-16-9-11(33-15-6-7-26-18-17(15)29-20(32)30-18)3-5-13(16)27-19(31)28-14-8-10(21(23,24)25)2-4-12(14)22/h2-9H,1H3,(H2,27,28,31)(H2,26,29,30,32) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480094
(CHEMBL496414)Show SMILES Fc1cc(Oc2ccnc3[nH]c(=O)[nH]c23)ccc1NC(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H13F4N5O3/c21-13-9-12(32-15-6-7-25-17-16(15)28-19(31)29-17)4-5-14(13)27-18(30)26-11-3-1-2-10(8-11)20(22,23)24/h1-9H,(H2,26,27,30)(H2,25,28,29,31) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480095
(CHEMBL501686)Show SMILES FC(F)(F)c1ccc(N2CCOCC2)c(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ccccc23)c1 Show InChI InChI=1S/C28H23F3N6O4/c29-28(30,31)16-5-7-21(37-11-13-40-14-12-37)20(15-16)34-26(38)33-19-6-8-22(18-4-2-1-3-17(18)19)41-23-9-10-32-25-24(23)35-27(39)36-25/h1-10,15H,11-14H2,(H2,33,34,38)(H2,32,35,36,39) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480127
(CHEMBL496203)Show SMILES COc1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1Oc1ccnc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C21H16F3N5O4/c1-32-16-10-13(27-19(30)26-12-4-2-3-11(9-12)21(22,23)24)5-6-14(16)33-15-7-8-25-18-17(15)28-20(31)29-18/h2-10H,1H3,(H2,26,27,30)(H2,25,28,29,31) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480096
(CHEMBL524068)Show SMILES Cn1c2c(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c4ccccc34)ccnc2[nH]c1=O Show InChI InChI=1S/C25H17F4N5O3/c1-34-21-20(10-11-30-22(21)33-24(34)36)37-19-9-8-17(14-4-2-3-5-15(14)19)31-23(35)32-18-12-13(25(27,28)29)6-7-16(18)26/h2-12H,1H3,(H,30,33,36)(H2,31,32,35) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480097
(CHEMBL498025)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2Cl)ccc1Cl Show InChI InChI=1S/C20H12Cl2F3N5O3/c21-12-3-1-9(7-11(12)20(23,24)25)27-18(31)28-14-4-2-10(8-13(14)22)33-15-5-6-26-17-16(15)29-19(32)30-17/h1-8H,(H2,27,28,31)(H2,26,29,30,32) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480098
(CHEMBL496185)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2C(F)(F)F)ccc1Cl Show InChI InChI=1S/C21H12ClF6N5O3/c22-13-3-1-9(7-11(13)20(23,24)25)30-18(34)31-14-4-2-10(8-12(14)21(26,27)28)36-15-5-6-29-17-16(15)32-19(35)33-17/h1-8H,(H2,30,31,34)(H2,29,32,33,35) | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480099
(CHEMBL498459)Show SMILES Cn1c2c(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)c4ccccc34)ccnc2[nH]c1=O Show InChI InChI=1S/C25H17ClF3N5O3/c1-34-21-20(10-11-30-22(21)33-24(34)36)37-19-9-8-18(14-4-2-3-5-15(14)19)32-23(35)31-13-6-7-17(26)16(12-13)25(27,28)29/h2-12H,1H3,(H,30,33,36)(H2,31,32,35) | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM29701
(Pyridoimidazolone, 5a)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)ccc1Cl Show InChI InChI=1S/C20H13ClF3N5O3/c21-14-6-3-11(9-13(14)20(22,23)24)27-18(30)26-10-1-4-12(5-2-10)32-15-7-8-25-17-16(15)28-19(31)29-17/h1-9H,(H2,26,27,30)(H2,25,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480116
(CHEMBL522724)Show SMILES Cc1cc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccc1Oc1ccnc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C21H15ClF3N5O3/c1-10-8-11(27-19(31)28-12-2-4-14(22)13(9-12)21(23,24)25)3-5-15(10)33-16-6-7-26-18-17(16)29-20(32)30-18/h2-9H,1H3,(H2,27,28,31)(H2,26,29,30,32) | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480100
(CHEMBL487718)Show SMILES Cn1c2c(Oc3ccc(NC(=O)Nc4cccc(SC(F)(F)F)c4)c4ccccc34)ccnc2[nH]c1=O Show InChI InChI=1S/C25H18F3N5O3S/c1-33-21-20(11-12-29-22(21)32-24(33)35)36-19-10-9-18(16-7-2-3-8-17(16)19)31-23(34)30-14-5-4-6-15(13-14)37-25(26,27)28/h2-13H,1H3,(H,29,32,35)(H2,30,31,34) | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480115
(CHEMBL496019)Show SMILES COc1cc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccc1Oc1ccnc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C21H15ClF3N5O4/c1-33-16-9-11(28-19(31)27-10-2-4-13(22)12(8-10)21(23,24)25)3-5-14(16)34-15-6-7-26-18-17(15)29-20(32)30-18/h2-9H,1H3,(H2,27,28,31)(H2,26,29,30,32) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480101
(CHEMBL521725)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ccccc23)ccc1Cl Show InChI InChI=1S/C24H15ClF3N5O3/c25-16-6-5-12(11-15(16)24(26,27)28)30-22(34)31-17-7-8-18(14-4-2-1-3-13(14)17)36-19-9-10-29-21-20(19)32-23(35)33-21/h1-11H,(H2,30,31,34)(H2,29,32,33,35) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50180334
(2-(3,4-Methylenedioxyphenylamino)-6-(3-acetamidoph...)Show InChI InChI=1S/C19H16N4O3/c1-12(24)21-14-4-2-3-13(7-14)16-9-20-10-19(23-16)22-15-5-6-17-18(8-15)26-11-25-17/h2-10H,11H2,1H3,(H,21,24)(H,22,23) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB |
J Med Chem 49: 407-16 (2006)
Article DOI: 10.1021/jm050983g
BindingDB Entry DOI: 10.7270/Q2KD1XH9 |
More data for this
Ligand-Target Pair | |
Decaprenylphosphoryl-beta-D-ribose oxidase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50528132
(CHEMBL4439876)Show SMILES C[C@@]1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C18H15F2N3O5S/c1-18(10-2-5-12(6-3-10)29(21,27)28)16(25)23(17(26)22-18)9-15(24)13-7-4-11(19)8-14(13)20/h2-8H,9H2,1H3,(H,22,26)(H2,21,27,28)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells |
J Med Chem 63: 5367-5386 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480121
(CHEMBL526838)Show SMILES Fc1cccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ccccc23)c1 Show InChI InChI=1S/C23H16FN5O3/c24-13-4-3-5-14(12-13)26-22(30)27-17-8-9-18(16-7-2-1-6-15(16)17)32-19-10-11-25-21-20(19)28-23(31)29-21/h1-12H,(H2,26,27,30)(H2,25,28,29,31) | 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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480103
(CHEMBL498112)Show SMILES Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ccccc12)C(F)(F)F Show InChI InChI=1S/C24H15F4N5O3/c25-15-6-5-12(24(26,27)28)11-17(15)31-22(34)30-16-7-8-18(14-4-2-1-3-13(14)16)36-19-9-10-29-21-20(19)32-23(35)33-21/h1-11H,(H2,30,31,34)(H2,29,32,33,35) | 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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480102
(CHEMBL524801)Show SMILES Cc1cc(Oc2ccnc3[nH]c(=O)[nH]c23)ccc1NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C21H15ClF3N5O3/c1-10-8-12(33-16-6-7-26-18-17(16)29-20(32)30-18)3-5-15(10)28-19(31)27-11-2-4-14(22)13(9-11)21(23,24)25/h2-9H,1H3,(H2,27,28,31)(H2,26,29,30,32) | 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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480107
(CHEMBL496081)Show SMILES Cn1c2c(Oc3ccc(NC(=O)Nc4cccc(c4)C(C)(C)C)c4ccccc34)ccnc2[nH]c1=O Show InChI InChI=1S/C28H27N5O3/c1-28(2,3)17-8-7-9-18(16-17)30-26(34)31-21-12-13-22(20-11-6-5-10-19(20)21)36-23-14-15-29-25-24(23)33(4)27(35)32-25/h5-16H,1-4H3,(H,29,32,35)(H2,30,31,34) | 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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research UK Centre for Cancer Therapeutics
| Assay Description
BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves... |
J Med Chem 51: 3261-74 (2008)
Article DOI: 10.1021/jm070776b
BindingDB Entry DOI: 10.7270/Q2X34VRR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against human B-RAF |
J Med Chem 49: 407-16 (2006)
Article DOI: 10.1021/jm050983g
BindingDB Entry DOI: 10.7270/Q2KD1XH9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480104
(CHEMBL498024)Show SMILES Fc1cc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccc1Oc1ccnc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C20H12ClF4N5O3/c21-12-3-1-9(7-11(12)20(23,24)25)27-18(31)28-10-2-4-14(13(22)8-10)33-15-5-6-26-17-16(15)29-19(32)30-17/h1-8H,(H2,27,28,31)(H2,26,29,30,32) | 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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480125
(CHEMBL523905)Show SMILES Cc1c(C)c(Oc2ccnc3[nH]c(=O)[nH]c23)ccc1NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C22H17ClF3N5O3/c1-10-11(2)16(34-17-7-8-27-19-18(17)30-21(33)31-19)6-5-15(10)29-20(32)28-12-3-4-14(23)13(9-12)22(24,25)26/h3-9H,1-2H3,(H2,28,29,32)(H2,27,30,31,33) | 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 | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Decaprenylphosphoryl-beta-D-ribose oxidase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50528090
(CHEMBL4593173)Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)c(F)c2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H15F2N3O5S/c1-18(11-3-5-12(6-4-11)29(21,27)28)16(25)23(17(26)22-18)9-15(24)10-2-7-13(19)14(20)8-10/h2-8H,9H2,1H3,(H,22,26)(H2,21,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells |
J Med Chem 63: 5367-5386 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817 |
More data for this
Ligand-Target Pair | |
Decaprenylphosphoryl-beta-D-ribose oxidase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50528140
(CHEMBL4557069)Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)c(c2)C(F)(F)F)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H15F4N3O5S/c1-18(11-3-5-12(6-4-11)32(24,30)31)16(28)26(17(29)25-18)9-15(27)10-2-7-14(20)13(8-10)19(21,22)23/h2-8H,9H2,1H3,(H,25,29)(H2,24,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells |
J Med Chem 63: 5367-5386 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817 |
More data for this
Ligand-Target Pair | |
Decaprenylphosphoryl-beta-D-ribose oxidase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50528077
(CHEMBL4441087)Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H15F2N3O5S/c1-18(10-2-5-12(6-3-10)29(21,27)28)16(25)23(17(26)22-18)9-15(24)13-7-4-11(19)8-14(13)20/h2-8H,9H2,1H3,(H,22,26)(H2,21,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells |
J Med Chem 63: 5367-5386 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817 |
More data for this
Ligand-Target Pair | |
Decaprenylphosphoryl-beta-D-ribose oxidase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50528078
(CHEMBL4554896)Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)cc2O)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H16FN3O6S/c1-18(10-2-5-12(6-3-10)29(20,27)28)16(25)22(17(26)21-18)9-15(24)13-7-4-11(19)8-14(13)23/h2-8,23H,9H2,1H3,(H,21,26)(H2,20,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells |
J Med Chem 63: 5367-5386 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817 |
More data for this
Ligand-Target Pair | |
Decaprenylphosphoryl-beta-D-ribose oxidase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50528139
(CHEMBL4441924)Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)c(Cl)c2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H15ClFN3O5S/c1-18(11-3-5-12(6-4-11)29(21,27)28)16(25)23(17(26)22-18)9-15(24)10-2-7-14(20)13(19)8-10/h2-8H,9H2,1H3,(H,22,26)(H2,21,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells |
J Med Chem 63: 5367-5386 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817 |
More data for this
Ligand-Target Pair | |
Decaprenylphosphoryl-beta-D-ribose oxidase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50528079
(CHEMBL4468599)Show SMILES CC1(NC(=O)N(CC(=O)c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16F3N3O6S/c1-18(12-5-7-14(8-6-12)32(23,29)30)16(27)25(17(28)24-18)10-15(26)11-3-2-4-13(9-11)31-19(20,21)22/h2-9H,10H2,1H3,(H,24,28)(H2,23,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells |
J Med Chem 63: 5367-5386 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817 |
More data for this
Ligand-Target Pair | |
Decaprenylphosphoryl-beta-D-ribose oxidase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50528129
(CHEMBL4438645)Show SMILES CC1(NC(=O)N(CC(=O)c2cccc(c2)C(F)(F)F)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16F3N3O5S/c1-18(12-5-7-14(8-6-12)31(23,29)30)16(27)25(17(28)24-18)10-15(26)11-3-2-4-13(9-11)19(20,21)22/h2-9H,10H2,1H3,(H,24,28)(H2,23,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells |
J Med Chem 63: 5367-5386 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817 |
More data for this
Ligand-Target Pair | |
Decaprenylphosphoryl-beta-D-ribose oxidase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50528076
(CHEMBL4460821)Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(Cl)cc2Cl)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H15Cl2N3O5S/c1-18(10-2-5-12(6-3-10)29(21,27)28)16(25)23(17(26)22-18)9-15(24)13-7-4-11(19)8-14(13)20/h2-8H,9H2,1H3,(H,22,26)(H2,21,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells |
J Med Chem 63: 5367-5386 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817 |
More data for this
Ligand-Target Pair | |
Decaprenylphosphoryl-beta-D-ribose oxidase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50528075
(CHEMBL4452592)Show SMILES CC1(NC(=O)N(CC(=O)c2ncc(F)cc2F)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H14F2N4O5S/c1-17(9-2-4-11(5-3-9)29(20,27)28)15(25)23(16(26)22-17)8-13(24)14-12(19)6-10(18)7-21-14/h2-7H,8H2,1H3,(H,22,26)(H2,20,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells |
J Med Chem 63: 5367-5386 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817 |
More data for this
Ligand-Target Pair | |
Decaprenylphosphoryl-beta-D-ribose oxidase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50528143
(CHEMBL4557558)Show SMILES COC(=O)c1ccc(cc1)C1(C)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O Show InChI InChI=1S/C20H16F2N2O5/c1-20(12-5-3-11(4-6-12)17(26)29-2)18(27)24(19(28)23-20)10-16(25)14-8-7-13(21)9-15(14)22/h3-9H,10H2,1-2H3,(H,23,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells |
J Med Chem 63: 5367-5386 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480110
(CHEMBL496073)Show SMILES CC(C)(C)c1cccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ccccc23)c1 Show InChI InChI=1S/C27H25N5O3/c1-27(2,3)16-7-6-8-17(15-16)29-25(33)30-20-11-12-21(19-10-5-4-9-18(19)20)35-22-13-14-28-24-23(22)31-26(34)32-24/h4-15H,1-3H3,(H2,29,30,33)(H2,28,31,32,34) | 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 | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480109
(CHEMBL495801)Show SMILES CS(=O)(=O)c1cc(Oc2ccnc3[nH]c(=O)[nH]c23)ccc1NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C21H15ClF3N5O5S/c1-36(33,34)16-9-11(35-15-6-7-26-18-17(15)29-20(32)30-18)3-5-14(16)28-19(31)27-10-2-4-13(22)12(8-10)21(23,24)25/h2-9H,1H3,(H2,27,28,31)(H2,26,29,30,32) | 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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Decaprenylphosphoryl-beta-D-ribose oxidase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50528096
(CHEMBL4443878)Show SMILES CC1(NC(=O)N(CC(=O)c2ccccc2C(F)(F)F)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16F3N3O5S/c1-18(11-6-8-12(9-7-11)31(23,29)30)16(27)25(17(28)24-18)10-15(26)13-4-2-3-5-14(13)19(20,21)22/h2-9H,10H2,1H3,(H,24,28)(H2,23,29,30) | PDB
UniProtKB/SwissProt
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 |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells |
J Med Chem 63: 5367-5386 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817 |
More data for this
Ligand-Target Pair | |
Decaprenylphosphoryl-beta-D-ribose oxidase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50528114
(CHEMBL4459602)Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H14ClN3O5S2/c1-16(9-2-4-10(5-3-9)27(18,24)25)14(22)20(15(23)19-16)8-11(21)12-6-7-13(17)26-12/h2-7H,8H2,1H3,(H,19,23)(H2,18,24,25) | PDB
UniProtKB/SwissProt
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 |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells |
J Med Chem 63: 5367-5386 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817 |
More data for this
Ligand-Target Pair | |
Decaprenylphosphoryl-beta-D-ribose oxidase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50528091
(CHEMBL4471280)Show SMILES Cc1ccccc1C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O5S/c1-12-5-3-4-6-15(12)16(23)11-22-17(24)19(2,21-18(22)25)13-7-9-14(10-8-13)28(20,26)27/h3-10H,11H2,1-2H3,(H,21,25)(H2,20,26,27) | PDB
UniProtKB/SwissProt
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 |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells |
J Med Chem 63: 5367-5386 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817 |
More data for this
Ligand-Target Pair | |
Decaprenylphosphoryl-beta-D-ribose oxidase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50528109
(CHEMBL4594022)Show SMILES CC1(NC(=O)N(CC(=O)c2cccc(Br)c2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H16BrN3O5S/c1-18(12-5-7-14(8-6-12)28(20,26)27)16(24)22(17(25)21-18)10-15(23)11-3-2-4-13(19)9-11/h2-9H,10H2,1H3,(H,21,25)(H2,20,26,27) | PDB
UniProtKB/SwissProt
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 |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells |
J Med Chem 63: 5367-5386 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480119
(CHEMBL523229)Show SMILES COc1cc(Oc2ccnc3[nH]c(=O)[nH]c23)ccc1NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C21H15ClF3N5O4/c1-33-16-9-11(34-15-6-7-26-18-17(15)29-20(32)30-18)3-5-14(16)28-19(31)27-10-2-4-13(22)12(8-10)21(23,24)25/h2-9H,1H3,(H2,27,28,31)(H2,26,29,30,32) | 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 | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Decaprenylphosphoryl-beta-D-ribose oxidase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50528094
(CHEMBL4515427)Show SMILES COc1cccc(c1)C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O6S/c1-19(13-6-8-15(9-7-13)29(20,26)27)17(24)22(18(25)21-19)11-16(23)12-4-3-5-14(10-12)28-2/h3-10H,11H2,1-2H3,(H,21,25)(H2,20,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells |
J Med Chem 63: 5367-5386 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50480126
(CHEMBL487719)Show SMILES Cn1c2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)c4ccccc34)c2[nH]c1=O Show InChI InChI=1S/C25H17ClF3N5O3/c1-34-22-21(33-24(34)36)20(10-11-30-22)37-19-9-8-18(14-4-2-3-5-15(14)19)32-23(35)31-13-6-7-17(26)16(12-13)25(27,28)29/h2-12H,1H3,(H,33,36)(H2,31,32,35) | 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 | 156 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant |
J Med Chem 52: 3881-91 (2009)
Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4 |
More data for this
Ligand-Target Pair | |
Decaprenylphosphoryl-beta-D-ribose oxidase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50528110
(CHEMBL4467330)Show SMILES Cc1ccc(cc1)C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O5S/c1-12-3-5-13(6-4-12)16(23)11-22-17(24)19(2,21-18(22)25)14-7-9-15(10-8-14)28(20,26)27/h3-10H,11H2,1-2H3,(H,21,25)(H2,20,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells |
J Med Chem 63: 5367-5386 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817 |
More data for this
Ligand-Target Pair | |
Search and Browse
