Found 20 hits of Enzyme Inhibition Constant Data 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)) | BDBM50272893
(1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2cccc(OC)c2)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H24N6O2/c1-3-32-16-23(21-10-12-27-25-22(21)11-13-28-25)24(31-32)17-6-4-7-18(14-17)29-26(33)30-19-8-5-9-20(15-19)34-2/h4-16H,3H2,1-2H3,(H,27,28)(H2,29,30,33) | 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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf by fluorescence anisotropy binding assay |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50272853
(1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H21F3N6O/c1-2-35-15-22(20-10-12-30-24-21(20)11-13-31-24)23(34-35)16-4-3-5-19(14-16)33-25(36)32-18-8-6-17(7-9-18)26(27,28)29/h3-15H,2H2,1H3,(H,30,31)(H2,32,33,36) | 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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf by fluorescence anisotropy binding assay |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50272855
(1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H20F4N6O/c1-2-36-14-20(18-8-10-31-24-19(18)9-11-32-24)23(35-36)15-4-3-5-17(12-15)33-25(37)34-22-13-16(26(28,29)30)6-7-21(22)27/h3-14H,2H2,1H3,(H,31,32)(H2,33,34,37) | 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 | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf by fluorescence anisotropy binding assay |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50272817
(1-(2-chlorophenyl)-3-(3-(1-ethyl-4-(1H-pyrrolo[2,3...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2ccccc2Cl)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C25H21ClN6O/c1-2-32-15-20(18-10-12-27-24-19(18)11-13-28-24)23(31-32)16-6-5-7-17(14-16)29-25(33)30-22-9-4-3-8-21(22)26/h3-15H,2H2,1H3,(H,27,28)(H2,29,30,33) | 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 | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf by fluorescence anisotropy binding assay |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50272892
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(3-(1-eth...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H20ClF3N6O/c1-2-36-14-20(18-8-10-31-24-19(18)9-11-32-24)23(35-36)15-4-3-5-16(12-15)33-25(37)34-17-6-7-22(27)21(13-17)26(28,29)30/h3-14H,2H2,1H3,(H,31,32)(H2,33,34,37) | 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 | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf by fluorescence anisotropy binding assay |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50272854
(1-(3-chlorophenyl)-3-(3-(1-ethyl-4-(1H-pyrrolo[2,3...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2cccc(Cl)c2)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C25H21ClN6O/c1-2-32-15-22(20-9-11-27-24-21(20)10-12-28-24)23(31-32)16-5-3-7-18(13-16)29-25(33)30-19-8-4-6-17(26)14-19/h3-15H,2H2,1H3,(H,27,28)(H2,29,30,33) | 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 | 10.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf by fluorescence anisotropy binding assay |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50272783
(1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2ccccc2)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C25H22N6O/c1-2-31-16-22(20-11-13-26-24-21(20)12-14-27-24)23(30-31)17-7-6-10-19(15-17)29-25(32)28-18-8-4-3-5-9-18/h3-16H,2H2,1H3,(H,26,27)(H2,28,29,32) | 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 | 17.4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf by fluorescence anisotropy binding assay |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50272852
(1-(2,6-difluorophenyl)-3-(3-(1-ethyl-4-(1H-pyrrolo...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2c(F)cccc2F)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C25H20F2N6O/c1-2-33-14-19(17-9-11-28-24-18(17)10-12-29-24)22(32-33)15-5-3-6-16(13-15)30-25(34)31-23-20(26)7-4-8-21(23)27/h3-14H,2H2,1H3,(H,28,29)(H2,30,31,34) | 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 | 25.7 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf by fluorescence anisotropy binding assay |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50377952
(CHEMBL1964273)Show SMILES CCOC(=O)c1cc2c(ccnc2[nH]1)-c1cn(CC)nc1-c1cccc(NC(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C28H26N6O3/c1-3-34-17-23(21-13-14-29-26-22(21)16-24(32-26)27(35)37-4-2)25(33-34)18-9-8-12-20(15-18)31-28(36)30-19-10-6-5-7-11-19/h5-17H,3-4H2,1-2H3,(H,29,32)(H2,30,31,36) | 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 | 33.9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf by fluorescence anisotropy binding assay |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50272814
(1-cyclohexyl-3-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyr...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)NC2CCCCC2)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C25H28N6O/c1-2-31-16-22(20-11-13-26-24-21(20)12-14-27-24)23(30-31)17-7-6-10-19(15-17)29-25(32)28-18-8-4-3-5-9-18/h6-7,10-16,18H,2-5,8-9H2,1H3,(H,26,27)(H2,28,29,32) | 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 | 41.7 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf by fluorescence anisotropy binding assay |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50377951
(CHEMBL1964274)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2ccccc2)c1)-c1ccnc2[nH]c(cc12)C(O)=O Show InChI InChI=1S/C26H22N6O3/c1-2-32-15-21(19-11-12-27-24-20(19)14-22(30-24)25(33)34)23(31-32)16-7-6-10-18(13-16)29-26(35)28-17-8-4-3-5-9-17/h3-15H,2H2,1H3,(H,27,30)(H,33,34)(H2,28,29,35) | 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 | 45.7 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf by fluorescence anisotropy binding assay |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50272853
(1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H21F3N6O/c1-2-35-15-22(20-10-12-30-24-21(20)11-13-31-24)23(34-35)16-4-3-5-19(14-16)33-25(36)32-18-8-6-17(7-9-18)26(27,28)29/h3-15H,2H2,1H3,(H,30,31)(H2,32,33,36) | 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 | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf-mediated phosphorylation of MEK1 in mouse 3T3 cells after 2 hrs |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50272894
(1-(3-(4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2ccccc2)c1)-c1ccnc2[nH]cc(Br)c12 Show InChI InChI=1S/C25H21BrN6O/c1-2-32-15-20(19-11-12-27-24-22(19)21(26)14-28-24)23(31-32)16-7-6-10-18(13-16)30-25(33)29-17-8-4-3-5-9-17/h3-15H,2H2,1H3,(H,27,28)(H2,29,30,33) | 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 | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf by fluorescence anisotropy binding assay |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50272816
(1-(4-(benzyloxy)phenyl)-3-(3-(1-ethyl-4-(1H-pyrrol...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C32H28N6O2/c1-2-38-20-29(27-15-17-33-31-28(27)16-18-34-31)30(37-38)23-9-6-10-25(19-23)36-32(39)35-24-11-13-26(14-12-24)40-21-22-7-4-3-5-8-22/h3-20H,2,21H2,1H3,(H,33,34)(H2,35,36,39) | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf by fluorescence anisotropy binding assay |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50272815
(1-benzyl-3-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)NCc2ccccc2)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H24N6O/c1-2-32-17-23(21-11-13-27-25-22(21)12-14-28-25)24(31-32)19-9-6-10-20(15-19)30-26(33)29-16-18-7-4-3-5-8-18/h3-15,17H,2,16H2,1H3,(H,27,28)(H2,29,30,33) | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf by fluorescence anisotropy binding assay |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272893
(1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2cccc(OC)c2)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H24N6O2/c1-3-32-16-23(21-10-12-27-25-22(21)11-13-28-25)24(31-32)17-6-4-7-18(14-17)29-26(33)30-19-8-5-9-20(15-19)34-2/h4-16H,3H2,1-2H3,(H,27,28)(H2,29,30,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50272893
(1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2cccc(OC)c2)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H24N6O2/c1-3-32-16-23(21-10-12-27-25-22(21)11-13-28-25)24(31-32)17-6-4-7-18(14-17)29-26(33)30-19-8-5-9-20(15-19)34-2/h4-16H,3H2,1-2H3,(H,27,28)(H2,29,30,33) | PDB
MMDB
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 | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50272782
(1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=S)Nc2ccccc2)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C25H22N6S/c1-2-31-16-22(20-11-13-26-24-21(20)12-14-27-24)23(30-31)17-7-6-10-19(15-17)29-25(32)28-18-8-4-3-5-9-18/h3-16H,2H2,1H3,(H,26,27)(H2,28,29,32) | 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 | 331 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf by fluorescence anisotropy binding assay |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50272853
(1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H21F3N6O/c1-2-35-15-22(20-10-12-30-24-21(20)11-13-31-24)23(34-35)16-4-3-5-19(14-16)33-25(36)32-18-8-6-17(7-9-18)26(27,28)29/h3-15H,2H2,1H3,(H,30,31)(H2,32,33,36) | PDB
MMDB
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 | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272853
(1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...)Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H21F3N6O/c1-2-35-15-22(20-10-12-30-24-21(20)11-13-31-24)23(34-35)16-4-3-5-19(14-16)33-25(36)32-18-8-6-17(7-9-18)26(27,28)29/h3-15H,2H2,1H3,(H,30,31)(H2,32,33,36) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 18: 4610-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S |
More data for this
Ligand-Target Pair | |
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