new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'walgren' and Initial = 'jl'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50308556
PNG
(3-(4-(3-hydroxypropyl)piperazin-1-yl)-1-(2-propoxy...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCN(CCCO)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C25H34N6O4/c1-3-14-35-15-12-31-22-16-20(19-5-6-23(34-2)27-17-19)26-18-21(22)28-24(25(31)33)30-10-8-29(9-11-30)7-4-13-32/h5-6,16-18,32H,3-4,7-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.180n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE5 assessed as reduction in conversion of [3H]cGMP to [3H]GMP after 2 hr by scintillation proximity assay


J Med Chem 53: 2656-60 (2010)


Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50308557
PNG
(3-(4-(2-hydroxyethyl)piperazin-1-yl)-1-(2-propoxye...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCN(CCO)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-13-34-14-11-30-21-15-19(18-4-5-22(33-2)26-16-18)25-17-20(21)27-23(24(30)32)29-8-6-28(7-9-29)10-12-31/h4-5,15-17,31H,3,6-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE5 assessed as reduction in conversion of [3H]cGMP to [3H]GMP after 2 hr by scintillation proximity assay


J Med Chem 53: 2656-60 (2010)


Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50308563
PNG
(3-(4-(2-hydroxy-2-methylpropyl)piperazin-1-yl)-1-(...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCN(CC(C)(C)O)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C26H36N6O4/c1-5-13-36-14-12-32-22-15-20(19-6-7-23(35-4)28-16-19)27-17-21(22)29-24(25(32)33)31-10-8-30(9-11-31)18-26(2,3)34/h6-7,15-17,34H,5,8-14,18H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE5 assessed as reduction in conversion of [3H]cGMP to [3H]GMP after 2 hr by scintillation proximity assay


J Med Chem 53: 2656-60 (2010)


Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50308558
PNG
(3-(4-ethylpiperazin-1-yl)-1-(2-propoxyethyl)-7-(6-...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCN(CC)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O3/c1-4-13-33-14-12-30-21-15-19(18-6-7-22(32-3)26-16-18)25-17-20(21)27-23(24(30)31)29-10-8-28(5-2)9-11-29/h6-7,15-17H,4-5,8-14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.220n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE5 assessed as reduction in conversion of [3H]cGMP to [3H]GMP after 2 hr by scintillation proximity assay


J Med Chem 53: 2656-60 (2010)


Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50308564
PNG
((R)-3-(4-(2-hydroxypropyl)piperazin-1-yl)-1-(2-iso...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCN(C[C@@H](C)O)CC2)c1=O)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C25H34N6O4/c1-4-12-35-13-11-31-22-14-20(19-5-6-23(34-3)27-15-19)26-16-21(22)28-24(25(31)33)30-9-7-29(8-10-30)17-18(2)32/h5-6,14-16,18,32H,4,7-13,17H2,1-3H3/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.230n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE5 assessed as reduction in conversion of [3H]cGMP to [3H]GMP after 2 hr by scintillation proximity assay


J Med Chem 53: 2656-60 (2010)


Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50300957
PNG
(3-(2-aminoethylamino)-7-(6-methoxypyridin-3-yl)-1-...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCN)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C20H26N6O3/c1-3-9-29-10-8-26-17-11-15(14-4-5-18(28-2)24-12-14)23-13-16(17)25-19(20(26)27)22-7-6-21/h4-5,11-13H,3,6-10,21H2,1-2H3,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE5 assessed as reduction in conversion of [3H]cGMP to [3H]GMP after 2 hr by scintillation proximity assay


J Med Chem 53: 2656-60 (2010)


Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50308561
PNG
((+/-)-3-(4-((2R,3R)-3-hydroxybutan-2-yl)piperazin-...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCN(CC2)[C@H](C)[C@@H](C)O)c1=O)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C26H36N6O4/c1-5-13-36-14-12-32-23-15-21(20-6-7-24(35-4)28-16-20)27-17-22(23)29-25(26(32)34)31-10-8-30(9-11-31)18(2)19(3)33/h6-7,15-19,33H,5,8-14H2,1-4H3/t18-,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE5 assessed as reduction in conversion of [3H]cGMP to [3H]GMP after 2 hr by scintillation proximity assay


J Med Chem 53: 2656-60 (2010)


Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50308553
PNG
((S)-3-(4-(2-hydroxypropyl)piperazin-1-yl)-1-(2-iso...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCN(C[C@H](C)O)CC2)c1=O)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C25H34N6O4/c1-4-12-35-13-11-31-22-14-20(19-5-6-23(34-3)27-15-19)26-16-21(22)28-24(25(31)33)30-9-7-29(8-10-30)17-18(2)32/h5-6,14-16,18,32H,4,7-13,17H2,1-3H3/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.310n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE5 assessed as reduction in conversion of [3H]cGMP to [3H]GMP after 2 hr by scintillation proximity assay


J Med Chem 53: 2656-60 (2010)


Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50308562
PNG
((+/-)-3-(4-((2S,3R)-3-hydroxybutan-2-yl)piperazin-...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCN(CC2)[C@@H](C)[C@@H](C)O)c1=O)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C26H36N6O4/c1-5-13-36-14-12-32-23-15-21(20-6-7-24(35-4)28-16-20)27-17-22(23)29-25(26(32)34)31-10-8-30(9-11-31)18(2)19(3)33/h6-7,15-19,33H,5,8-14H2,1-4H3/t18-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.330n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE5 assessed as reduction in conversion of [3H]cGMP to [3H]GMP after 2 hr by scintillation proximity assay


J Med Chem 53: 2656-60 (2010)


Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50096333
PNG
(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
Article
PubMed
n/an/a 0.460n/an/an/an/an/an/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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50308555
PNG
(3-(4-(2-hydroxyethyl)-1,4-diazepan-1-yl)-1-(2-isop...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCCN(CCO)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C25H34N6O4/c1-3-14-35-15-12-31-22-16-20(19-5-6-23(34-2)27-17-19)26-18-21(22)28-24(25(31)33)30-8-4-7-29(9-10-30)11-13-32/h5-6,16-18,32H,3-4,7-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.720n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE5 assessed as reduction in conversion of [3H]cGMP to [3H]GMP after 2 hr by scintillation proximity assay


J Med Chem 53: 2656-60 (2010)


Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096333
PNG
(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
Article
PubMed
n/an/a 1n/an/an/an/an/an/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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50300958
PNG
(3-(2-(2-hydroxyethylamino)ethylamino)-7-(6-methoxy...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCNCCO)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H30N6O4/c1-3-11-32-12-9-28-19-13-17(16-4-5-20(31-2)26-14-16)25-15-18(19)27-21(22(28)30)24-7-6-23-8-10-29/h4-5,13-15,23,29H,3,6-12H2,1-2H3,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE5 assessed as reduction in conversion of [3H]cGMP to [3H]GMP after 2 hr by scintillation proximity assay


J Med Chem 53: 2656-60 (2010)


Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50308554
PNG
(3-(4-(3-hydroxypropyl)-1,4-diazepan-1-yl)-1-(2-pro...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCCN(CCCO)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C26H36N6O4/c1-3-15-36-16-13-32-23-17-21(20-6-7-24(35-2)28-18-20)27-19-22(23)29-25(26(32)34)31-10-4-8-30(11-12-31)9-5-14-33/h6-7,17-19,33H,3-5,8-16H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE5 assessed as reduction in conversion of [3H]cGMP to [3H]GMP after 2 hr by scintillation proximity assay


J Med Chem 53: 2656-60 (2010)


Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096332
PNG
(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
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/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
PNG
(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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/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
PNG
(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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50096332
PNG
(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
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/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
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096323
PNG
(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 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50308559
PNG
(3-((1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1-(...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N2C[C@H]3C[C@@H]2CN3)c1=O)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C23H28N6O3/c1-3-7-32-8-6-28-20-10-18(15-4-5-21(31-2)26-11-15)25-13-19(20)27-22(23(28)30)29-14-16-9-17(29)12-24-16/h4-5,10-11,13,16-17,24H,3,6-9,12,14H2,1-2H3/t16-,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE5 assessed as reduction in conversion of [3H]cGMP to [3H]GMP after 2 hr by scintillation proximity assay


J Med Chem 53: 2656-60 (2010)


Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096328
PNG
(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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/an/an/an/an/an/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
PNG
(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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90n/an/an/an/an/an/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 serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096325
PNG
(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
Article
PubMed
n/an/a 3n/an/an/an/an/an/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
PNG
(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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10n/an/an/an/an/an/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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50308560
PNG
(3-(2-(2-hydroxyethylamino)ethylamino)-1-(2-propoxy...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCNCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H28N6O3/c1-3-11-31-12-10-28-19-13-17(16-4-5-20(30-2)25-14-16)24-15-18(19)26-21(22(28)29)27-8-6-23-7-9-27/h4-5,13-15,23H,3,6-12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE5 assessed as reduction in conversion of [3H]cGMP to [3H]GMP after 2 hr by scintillation proximity assay


J Med Chem 53: 2656-60 (2010)


Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096331
PNG
(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 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20n/an/an/an/an/an/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
PNG
(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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 4.30n/an/an/an/an/an/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 serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096329
PNG
(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
Article
PubMed
n/an/a 4.30n/an/an/an/an/an/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 serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096323
PNG
(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 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40n/an/an/an/an/an/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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096331
PNG
(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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20n/an/an/an/an/an/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
PNG
(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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60n/an/an/an/an/an/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 serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096279
PNG
(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
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 5.80n/an/an/an/an/an/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
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50428286
PNG
(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
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 6n/an/an/an/an/an/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
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US9388165, Refer...)
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
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 6.10n/an/an/an/an/an/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
3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096329
PNG
(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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70n/an/an/an/an/an/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 serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096333
PNG
(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
Article
PubMed
n/an/a 6.80n/an/an/an/an/an/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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096330
PNG
(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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20n/an/an/an/an/an/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 serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096328
PNG
(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
Article
PubMed
n/an/a 7.60n/an/an/an/an/an/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 serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096330
PNG
(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
Article
PubMed
n/an/a 7.70n/an/an/an/an/an/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 serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096334
PNG
(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
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/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 serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096325
PNG
(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
Article
PubMed
n/an/a 8.40n/an/an/an/an/an/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
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50428286
PNG
(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
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 9.70n/an/an/an/an/an/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
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096332
PNG
(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
Article
PubMed
n/an/a 10n/an/an/an/an/an/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
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096331
PNG
(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 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/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
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50428286
PNG
(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
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 11n/an/an/an/an/an/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
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096279
PNG
(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
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 15n/an/an/an/an/an/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
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096333
PNG
(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
Article
PubMed
n/an/a 18n/an/an/an/an/an/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
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096324
PNG
(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
Article
PubMed
n/an/a 18n/an/an/an/an/an/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 serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50096328
PNG
(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
Article
PubMed
n/an/a 18n/an/an/an/an/an/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
Ephrin receptor


(Homo sapiens (Human))
BDBM50096279
PNG
(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
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive binding affinity to EphA2 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
Displayed 1 to 50 (of 112 total )  |  Next  |  Last  >>
Jump to: