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Compile Data Set for Download or QSAR

Found 520 hits from Array BioPharma   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25619
PNG
((1Z)-5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C18H16N4O/c1-22-11-16(18(20-22)12-6-8-19-9-7-12)14-2-4-15-13(10-14)3-5-17(15)21-23/h2,4,6-11,17H,3,5H2,1H3
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n/an/a 0.0200n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25636
PNG
((1Z)-5-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyr...)
Show SMILES O=NC1CCc2cc(ccc12)-c1cn(nc1-c1ccncc1)C1CCNCC1
Show InChI InChI=1S/C22H23N5O/c28-26-21-4-2-16-13-17(1-3-19(16)21)20-14-27(18-7-11-24-12-8-18)25-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,21,24H,2,4,7-8,11-12H2
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n/an/a 0.0300n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25625
PNG
((1S,3R)-3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H...)
Show SMILES O[C@H]1CCC[C@H](C1)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C23H24N4O2/c28-19-3-1-2-18(13-19)27-14-21(23(25-27)15-8-10-24-11-9-15)17-4-6-20-16(12-17)5-7-22(20)26-29/h4,6,8-12,14,18-19,22,28H,1-3,5,7,13H2/t18-,19+,22?/m1/s1
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n/an/a 0.0400n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25629
PNG
(3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES OCCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C20H20N4O2/c25-11-1-10-24-13-18(20(22-24)14-6-8-21-9-7-14)16-2-4-17-15(12-16)3-5-19(17)23-26/h2,4,6-9,12-13,19,25H,1,3,5,10-11H2
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n/an/a 0.0500n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25626
PNG
((1R,3R)-3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H...)
Show SMILES O[C@@H]1CCC[C@H](C1)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C23H24N4O2/c28-19-3-1-2-18(13-19)27-14-21(23(25-27)15-8-10-24-11-9-15)17-4-6-20-16(12-17)5-7-22(20)26-29/h4,6,8-12,14,18-19,22,28H,1-3,5,7,13H2/t18-,19-,22?/m1/s1
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n/an/a 0.0900n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25628
PNG
(2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,18,24H,2,4,9-10H2
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n/an/a 0.130n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25618
PNG
((1Z)-5-[3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihy...)
Show SMILES O=NC1CCc2cc(ccc12)-c1c[nH]nc1-c1ccncc1
Show InChI InChI=1S/C17H14N4O/c22-21-16-4-2-12-9-13(1-3-14(12)16)15-10-19-20-17(15)11-5-7-18-8-6-11/h1,3,5-10,16H,2,4H2,(H,19,20)
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n/an/a 0.150n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25638
PNG
((1Z)-5-[1-(oxan-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-...)
Show SMILES O=NC1CCc2cc(ccc12)-c1cn(nc1-c1ccncc1)C1CCOCC1
Show InChI InChI=1S/C22H22N4O2/c27-25-21-4-2-16-13-17(1-3-19(16)21)20-14-26(18-7-11-28-12-8-18)24-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,21H,2,4,7-8,11-12H2
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n/an/a 0.220n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25641
PNG
(3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES CNC1CCCC(C1)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C24H27N5O/c1-25-19-3-2-4-20(14-19)29-15-22(24(27-29)16-9-11-26-12-10-16)18-5-7-21-17(13-18)6-8-23(21)28-30/h5,7,9-13,15,19-20,23,25H,2-4,6,8,14H2,1H3
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n/an/a 0.230n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25624
PNG
((1R,2R)-2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H...)
Show SMILES O[C@@H]1CCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C22H22N4O2/c27-21-3-1-2-20(21)26-13-18(22(24-26)14-8-10-23-11-9-14)16-4-6-17-15(12-16)5-7-19(17)25-28/h4,6,8-13,19-21,27H,1-3,5,7H2/t19?,20-,21-/m1/s1
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n/an/a 0.330n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25637
PNG
((1Z)-5-[1-(1-methylpiperidin-4-yl)-3-(pyridin-4-yl...)
Show SMILES CN1CCC(CC1)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C23H25N5O/c1-27-12-8-19(9-13-27)28-15-21(23(25-28)16-6-10-24-11-7-16)18-2-4-20-17(14-18)3-5-22(20)26-29/h2,4,6-7,10-11,14-15,19,22H,3,5,8-9,12-13H2,1H3
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n/an/a 0.340n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25634
PNG
(3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES NCCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C20H21N5O/c21-8-1-11-25-13-18(20(23-25)14-6-9-22-10-7-14)16-2-4-17-15(12-16)3-5-19(17)24-26/h2,4,6-7,9-10,12-13,19H,1,3,5,8,11,21H2
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n/an/a 0.390n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25635
PNG
((3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-...)
Show SMILES CN(C)CCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C22H25N5O/c1-26(2)12-3-13-27-15-20(22(24-27)16-8-10-23-11-9-16)18-4-6-19-17(14-18)5-7-21(19)25-28/h4,6,8-11,14-15,21H,3,5,7,12-13H2,1-2H3
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n/an/a 0.470n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25620
PNG
((1Z)-5-[1-methyl-5-(pyridin-4-yl)-1H-pyrazol-4-yl]...)
Show SMILES Cn1ncc(c1-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C18H16N4O/c1-22-18(12-6-8-19-9-7-12)16(11-20-22)14-2-4-15-13(10-14)3-5-17(15)21-23/h2,4,6-11,17H,3,5H2,1H3
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n/an/a 0.480n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25631
PNG
(2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES OCC(CO)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C20H20N4O3/c25-11-16(12-26)24-10-18(20(22-24)13-5-7-21-8-6-13)15-1-3-17-14(9-15)2-4-19(17)23-27/h1,3,5-10,16,19,25-26H,2,4,11-12H2
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n/an/a 0.560n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25621
PNG
((1Z)-5-[1-ethyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-...)
Show SMILES CCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H18N4O/c1-2-23-12-17(19(21-23)13-7-9-20-10-8-13)15-3-5-16-14(11-15)4-6-18(16)22-24/h3,5,7-12,18H,2,4,6H2,1H3
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n/an/a 0.570n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50344470
PNG
(6-(1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-4-...)
Show SMILES C1CC2CC(CC1N2)n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C25H24N6/c1-4-22-17(10-18-13-27-29-24(18)22)9-16(1)23-14-31(21-11-19-2-3-20(12-21)28-19)30-25(23)15-5-7-26-8-6-15/h1,4-9,13-14,19-21,28H,2-3,10-12H2,(H,27,29)
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n/an/a 0.570n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50344473
PNG
(CHEMBL1780170 | trans-4-(4-(2,4-dihydroindeno[1,2-...)
Show SMILES N[C@H]1CC[C@@H](CC1)n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C24H24N6/c25-19-2-4-20(5-3-19)30-14-22(24(29-30)15-7-9-26-10-8-15)16-1-6-21-17(11-16)12-18-13-27-28-23(18)21/h1,6-11,13-14,19-20H,2-5,12,25H2,(H,27,28)/t19-,20-
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n/an/a 0.660n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25640
PNG
((1Z)-5-[1-(piperidin-3-ylmethyl)-3-(pyridin-4-yl)-...)
Show SMILES O=NC1CCc2cc(ccc12)-c1cn(CC2CCCNC2)nc1-c1ccncc1
Show InChI InChI=1S/C23H25N5O/c29-27-22-6-4-18-12-19(3-5-20(18)22)21-15-28(14-16-2-1-9-25-13-16)26-23(21)17-7-10-24-11-8-17/h3,5,7-8,10-12,15-16,22,25H,1-2,4,6,9,13-14H2
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n/an/a 0.850n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25630
PNG
(3-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES OCC(O)Cn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C20H20N4O3/c25-12-16(26)10-24-11-18(20(22-24)13-5-7-21-8-6-13)15-1-3-17-14(9-15)2-4-19(17)23-27/h1,3,5-9,11,16,19,25-26H,2,4,10,12H2
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n/an/a 0.870n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25627
PNG
((1Z)-5-[1-(2-methoxyethyl)-3-(pyridin-4-yl)-1H-pyr...)
Show SMILES COCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C20H20N4O2/c1-26-11-10-24-13-18(20(22-24)14-6-8-21-9-7-14)16-2-4-17-15(12-16)3-5-19(17)23-25/h2,4,6-9,12-13,19H,3,5,10-11H2,1H3
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n/an/a 1.16n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25639
PNG
((1Z)-5-[1-(piperidin-4-ylmethyl)-3-(pyridin-4-yl)-...)
Show SMILES O=NC1CCc2cc(ccc12)-c1cn(CC2CCNCC2)nc1-c1ccncc1
Show InChI InChI=1S/C23H25N5O/c29-27-22-4-2-18-13-19(1-3-20(18)22)21-15-28(14-16-5-9-24-10-6-16)26-23(21)17-7-11-25-12-8-17/h1,3,7-8,11-13,15-16,22,24H,2,4-6,9-10,14H2
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n/an/a 1.20n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50344483
PNG
(6-(1-((3S,4S)-3-fluoropiperidin-4-yl)-3-(pyridin-4...)
Show SMILES F[C@H]1CNCC[C@@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C23H21FN6/c24-20-12-26-8-5-21(20)30-13-19(23(29-30)14-3-6-25-7-4-14)15-1-2-18-16(9-15)10-17-11-27-28-22(17)18/h1-4,6-7,9,11,13,20-21,26H,5,8,10,12H2,(H,27,28)/t20-,21-/m0/s1
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n/an/a 1.25n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50344480
PNG
(6-(1-((3R,4R)-3-fluoropiperidin-4-yl)-3-(pyridin-4...)
Show SMILES F[C@@H]1CNCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C23H21FN6/c24-20-12-26-8-5-21(20)30-13-19(23(29-30)14-3-6-25-7-4-14)15-1-2-18-16(9-15)10-17-11-27-28-22(17)18/h1-4,6-7,9,11,13,20-21,26H,5,8,10,12H2,(H,27,28)/t20-,21-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50344464
PNG
(6-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)napht...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C19H15N3O/c1-22-12-17(19(21-22)13-7-9-20-10-8-13)15-5-6-16-14(11-15)3-2-4-18(16)23/h2-12,23H,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25653
PNG
(4-(4-{2H,4H-indeno[1,2-c]pyrazol-6-yl}-1-methyl-1H...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C19H15N5/c1-24-11-17(19(23-24)12-4-6-20-7-5-12)13-2-3-16-14(8-13)9-15-10-21-22-18(15)16/h2-8,10-11H,9H2,1H3,(H,21,22)
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n/an/a 1.5n/an/an/an/an/an/a



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50344480
PNG
(6-(1-((3R,4R)-3-fluoropiperidin-4-yl)-3-(pyridin-4...)
Show SMILES F[C@@H]1CNCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C23H21FN6/c24-20-12-26-8-5-21(20)30-13-19(23(29-30)14-3-6-25-7-4-14)15-1-2-18-16(9-15)10-17-11-27-28-22(17)18/h1-4,6-7,9,11,13,20-21,26H,5,8,10,12H2,(H,27,28)/t20-,21-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25649
PNG
((1E)-5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc2C(NO)=NCc2c1
Show InChI InChI=1S/C17H15N5O/c1-22-10-15(16(20-22)11-4-6-18-7-5-11)12-2-3-14-13(8-12)9-19-17(14)21-23/h2-8,10,23H,9H2,1H3,(H,19,21)
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n/an/a<2n/an/an/an/an/an/a



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50344476
PNG
(CHEMBL1780173 | cis-(1R,3S)-3-(4-(2,4-dihydroinden...)
Show SMILES O[C@@H]1CCC[C@@H](C1)n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C24H23N5O/c30-20-3-1-2-19(12-20)29-14-22(24(28-29)15-6-8-25-9-7-15)16-4-5-21-17(10-16)11-18-13-26-27-23(18)21/h4-10,13-14,19-20,30H,1-3,11-12H2,(H,26,27)/t19-,20+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25645
PNG
(4-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES Cn1cc(c(n1)-c1ccnc(N)c1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C18H17N5O/c1-23-10-15(18(21-23)13-6-7-20-17(19)9-13)12-2-4-14-11(8-12)3-5-16(14)22-24/h2,4,6-10,16H,3,5H2,1H3,(H2,19,20)
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n/an/a 2.10n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25632
PNG
(2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES NCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H19N5O/c20-7-10-24-12-17(19(22-24)13-5-8-21-9-6-13)15-1-3-16-14(11-15)2-4-18(16)23-25/h1,3,5-6,8-9,11-12,18H,2,4,7,10,20H2
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n/an/a 2.40n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25646
PNG
(4-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES Cn1cc(c(n1)-c1ccncc1O)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C18H16N4O2/c1-22-10-15(18(20-22)14-6-7-19-9-17(14)23)12-2-4-13-11(8-12)3-5-16(13)21-24/h2,4,6-10,16,23H,3,5H2,1H3
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n/an/a 2.90n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50344468
PNG
(6-(1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-...)
Show SMILES C1c2c[nH]nc2-c2ccc(cc12)-c1cn(nc1-c1ccncc1)C1CCNCC1
Show InChI InChI=1S/C23H22N6/c1-2-20-17(12-18-13-26-27-22(18)20)11-16(1)21-14-29(19-5-9-25-10-6-19)28-23(21)15-3-7-24-8-4-15/h1-4,7-8,11,13-14,19,25H,5-6,9-10,12H2,(H,26,27)
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n/an/a 3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25647
PNG
((1Z)-5-[1-methyl-3-(pyrimidin-4-yl)-1H-pyrazol-4-y...)
Show SMILES Cn1cc(c(n1)-c1ccncn1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C17H15N5O/c1-22-9-14(17(20-22)16-6-7-18-10-19-16)12-2-4-13-11(8-12)3-5-15(13)21-23/h2,4,6-10,15H,3,5H2,1H3
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n/an/a 3.10n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50344472
PNG
(6-(1-(azepan-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-4-y...)
Show SMILES C1c2c[nH]nc2-c2ccc(cc12)-c1cn(nc1-c1ccncc1)C1CCCNCC1
Show InChI InChI=1S/C24H24N6/c1-2-20(7-11-25-8-1)30-15-22(24(29-30)16-5-9-26-10-6-16)17-3-4-21-18(12-17)13-19-14-27-28-23(19)21/h3-6,9-10,12,14-15,20,25H,1-2,7-8,11,13H2,(H,27,28)
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n/an/a 3.20n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50344482
PNG
(6-(1-((3R,4S)-4-fluoropiperidin-3-yl)-3-(pyridin-4...)
Show SMILES F[C@H]1CCNC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C23H21FN6/c24-20-5-8-26-12-21(20)30-13-19(23(29-30)14-3-6-25-7-4-14)15-1-2-18-16(9-15)10-17-11-27-28-22(17)18/h1-4,6-7,9,11,13,20-21,26H,5,8,10,12H2,(H,27,28)/t20-,21+/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25622
PNG
((1Z)-5-[1-cyclopentyl-3-(pyridin-4-yl)-1H-pyrazol-...)
Show SMILES O=NC1CCc2cc(ccc12)-c1cn(nc1-c1ccncc1)C1CCCC1
Show InChI InChI=1S/C22H22N4O/c27-25-21-8-6-16-13-17(5-7-19(16)21)20-14-26(18-3-1-2-4-18)24-22(20)15-9-11-23-12-10-15/h5,7,9-14,18,21H,1-4,6,8H2
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n/an/a 3.46n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50344471
PNG
(6-(1-(piperidin-3-yl)-3-(pyridin-4-yl)-1H-pyrazol-...)
Show SMILES C1c2c[nH]nc2-c2ccc(cc12)-c1cn(nc1-c1ccncc1)C1CCCNC1
Show InChI InChI=1S/C23H22N6/c1-2-19(13-25-7-1)29-14-21(23(28-29)15-5-8-24-9-6-15)16-3-4-20-17(10-16)11-18-12-26-27-22(18)20/h3-6,8-10,12,14,19,25H,1-2,7,11,13H2,(H,26,27)
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n/an/a 3.70n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50344481
PNG
(6-(1-((3S,4R)-3-fluoropiperidin-4-yl)-3-(pyridin-4...)
Show SMILES F[C@H]1CNCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C23H21FN6/c24-20-12-26-8-5-21(20)30-13-19(23(29-30)14-3-6-25-7-4-14)15-1-2-18-16(9-15)10-17-11-27-28-22(17)18/h1-4,6-7,9,11,13,20-21,26H,5,8,10,12H2,(H,27,28)/t20-,21+/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25623
PNG
((1S,2R)-2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H...)
Show SMILES O[C@H]1CCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C22H22N4O2/c27-21-3-1-2-20(21)26-13-18(22(24-26)14-8-10-23-11-9-14)16-4-6-17-15(12-16)5-7-19(17)25-28/h4,6,8-13,19-21,27H,1-3,5,7H2/t19?,20-,21+/m1/s1
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n/an/a 3.91n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25633
PNG
((2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-...)
Show SMILES CN(C)CCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C21H23N5O/c1-25(2)11-12-26-14-19(21(23-26)15-7-9-22-10-8-15)17-3-5-18-16(13-17)4-6-20(18)24-27/h3,5,7-10,13-14,20H,4,6,11-12H2,1-2H3
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n/an/a 4.02n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25644
PNG
((1Z)-5-[1-methyl-3-(1,3-oxazol-5-yl)-1H-pyrazol-4-...)
Show SMILES Cn1cc(c(n1)-c1cnco1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C16H14N4O2/c1-20-8-13(16(18-20)15-7-17-9-22-15)11-2-4-12-10(6-11)3-5-14(12)19-21/h2,4,6-9,14H,3,5H2,1H3
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n/an/a 4.10n/an/an/an/a7.222



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25652
PNG
(4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]...)
Show SMILES Cc1c[nH]nc1-c1ccc(cc1)-c1cn(C)nc1-c1ccncc1
Show InChI InChI=1S/C19H17N5/c1-13-11-21-22-18(13)15-5-3-14(4-6-15)17-12-24(2)23-19(17)16-7-9-20-10-8-16/h3-12H,1-2H3,(H,21,22)
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n/an/a 4.40n/an/an/an/an/an/a



Array BioPharma



Assay Description
Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (...


Bioorg Med Chem Lett 18: 4692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.002
BindingDB Entry DOI: 10.7270/Q2NK3CBJ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50344477
PNG
(6-(1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,4-...)
Show SMILES C1c2c[nH]nc2-c2ccc(cc12)-c1cn(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C24H17N5/c1-2-4-20(5-3-1)29-15-22(24(28-29)16-8-10-25-11-9-16)17-6-7-21-18(12-17)13-19-14-26-27-23(19)21/h1-12,14-15H,13H2,(H,26,27)
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n/an/a 4.60n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50344478
PNG
((3R,4R)-4-(4-(2,4-dihydroindeno[1,2-c]pyrazol-6-yl...)
Show SMILES O[C@@H]1CNCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C23H22N6O/c30-21-12-25-8-5-20(21)29-13-19(23(28-29)14-3-6-24-7-4-14)15-1-2-18-16(9-15)10-17-11-26-27-22(17)18/h1-4,6-7,9,11,13,20-21,25,30H,5,8,10,12H2,(H,26,27)/t20-,21-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50344479
PNG
(7-(4-(2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-3-(pyr...)
Show SMILES C1c2c[nH]nc2-c2ccc(cc12)-c1cn(nc1-c1ccncc1)C1CC2COCC(C1)N2
Show InChI InChI=1S/C25H24N6O/c1-2-22-17(8-18-11-27-29-24(18)22)7-16(1)23-12-31(30-25(23)15-3-5-26-6-4-15)21-9-19-13-32-14-20(10-21)28-19/h1-7,11-12,19-21,28H,8-10,13-14H2,(H,27,29)
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n/an/a 5n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50033406
PNG
(CHEMBL3357658)
Show SMILES CN1C(N)=N[C@@]2([C@H]3OCCC[C@]3(C)Oc3ccc(cc23)-c2cccnc2F)C1=O
Show InChI InChI=1S/C21H21FN4O3/c1-20-8-4-10-28-17(20)21(18(27)26(2)19(23)25-21)14-11-12(6-7-15(14)29-20)13-5-3-9-24-16(13)22/h3,5-7,9,11,17H,4,8,10H2,1-2H3,(H2,23,25)/t17-,20-,21-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells expressing swedish double mutant APP assessed as amyloid beta (1 to 40) peptide level after 7 hrs by HTRF assay


J Med Chem 57: 10112-29 (2014)


Article DOI: 10.1021/jm5015132
BindingDB Entry DOI: 10.7270/Q2348N0T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50180564
PNG
(4-(4-bromo-2-fluorophenylamino)-N-(cyclopropylmeth...)
Show SMILES Cn1cc(C(=O)NOCC2CC2)c(Nc2ccc(Br)cc2F)c(F)c1=O
Show InChI InChI=1S/C17H16BrF2N3O3/c1-23-7-11(16(24)22-26-8-9-2-3-9)15(14(20)17(23)25)21-13-5-4-10(18)6-12(13)19/h4-7,9,21H,2-3,8H2,1H3,(H,22,24)
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n/an/a 6.80n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibitory activity aginst MEK1


J Med Chem 49: 441-4 (2006)


Article DOI: 10.1021/jm050834y
BindingDB Entry DOI: 10.7270/Q2571BKQ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM25652
PNG
(4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]...)
Show SMILES Cc1c[nH]nc1-c1ccc(cc1)-c1cn(C)nc1-c1ccncc1
Show InChI InChI=1S/C19H17N5/c1-13-11-21-22-18(13)15-5-3-14(4-6-15)17-12-24(2)23-19(17)16-7-9-20-10-8-16/h3-12H,1-2H3,(H,21,22)
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n/an/a 7n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50344469
PNG
(6-(1-(1-methylpiperidin-4-yl)-3-(pyridin-4-yl)-1H-...)
Show SMILES CN1CCC(CC1)n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C24H24N6/c1-29-10-6-20(7-11-29)30-15-22(24(28-30)16-4-8-25-9-5-16)17-2-3-21-18(12-17)13-19-14-26-27-23(19)21/h2-5,8-9,12,14-15,20H,6-7,10-11,13H2,1H3,(H,26,27)
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n/an/a 8n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
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