Found 17603 hits with Last Name = 'brandhuber' and Initial = 'bj' 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 |
Genome polyprotein
(Hepacivirus C) | BDBM50495950
(Danoprevir | R-05190591 | R05190591 | RO-5190591 |...)Show SMILES [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@H](CCCCC\C=C/2)NC(=O)OC(C)(C)C)OC(=O)N1Cc2cccc(F)c2C1)C(=O)NS(=O)(=O)C1CC1 |c:23| Show InChI InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description Inhibition of Hepatitis C virus genotype 1a NS3/4A protease A156T mutant expressed in Escherichia coli BL21 (DE3) cells assessed as substrate cleavag... |
J Med Chem 57: 1753-69 (2014)
Article DOI: 10.1021/jm400164c BindingDB Entry DOI: 10.7270/Q2T72MD2 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25619
((1Z)-5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]...)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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25636
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25625
((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 |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25629
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25626
((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 |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25628
(2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25618
((1Z)-5-[3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihy...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25638
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25641
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25624
((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 |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25637
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25634
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25635
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25620
((1Z)-5-[1-methyl-5-(pyridin-4-yl)-1H-pyrazol-4-yl]...)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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25631
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25621
((1Z)-5-[1-ethyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-...)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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50344470
(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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50344473
(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 |r,wU:4.7,wD:1.0,(6.31,.76,;4.77,.77,;4.01,2.11,;2.46,2.11,;1.7,.78,;2.46,-.56,;3.99,-.56,;.16,.79,;-.74,2.03,;-2.21,1.56,;-2.21,.02,;-.74,-.46,;-3.46,-.88,;-4.79,-.12,;-6.12,-.89,;-6.12,-2.43,;-4.79,-3.2,;-3.45,-2.43,;-3.53,2.33,;-3.52,3.87,;-4.85,4.64,;-6.19,3.88,;-6.19,2.33,;-7.66,1.85,;-8.57,3.1,;-10.04,3.56,;-10.05,5.11,;-8.59,5.6,;-7.67,4.35,;-4.86,1.56,)| 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- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25640
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25630
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.870 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50327785
((R)-2-amino-1-(4-(5-chloro-7H-pyrrolo[2,3-d]pyrimi...)Show SMILES N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ncnc2[nH]cc(Cl)c12 |r| Show InChI InChI=1S/C19H20Cl2N6O/c20-13-3-1-12(2-4-13)9-15(22)19(28)27-7-5-26(6-8-27)18-16-14(21)10-23-17(16)24-11-25-18/h1-4,10-11,15H,5-9,22H2,(H,23,24,25)/t15-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description Inhibition of AKT1 by IMAP assay |
Bioorg Med Chem Lett 20: 5607-12 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.053 BindingDB Entry DOI: 10.7270/Q2M908XQ |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114]
(Homo sapiens (Human)) | BDBM296817
(US10112942, Example 552 | US10137124, Example 552 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2cnc(cn2)-c2cc(OC[C@H]3CNCCO3)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C29H31N9O3/c1-39-28-3-2-19(9-34-28)14-37-21-6-22(37)16-36(15-21)27-13-32-26(12-33-27)25-7-23(41-18-24-11-31-4-5-40-24)17-38-29(25)20(8-30)10-35-38/h2-3,7,9-10,12-13,17,21-22,24,31H,4-6,11,14-16,18H2,1H3/t21?,22?,24-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
US Patent
| Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE-TK assay techn... |
US Patent US10555944 (2020)
BindingDB Entry DOI: 10.7270/Q279473N |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114]
(Homo sapiens (Human)) | BDBM296817
(US10112942, Example 552 | US10137124, Example 552 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2cnc(cn2)-c2cc(OC[C@H]3CNCCO3)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C29H31N9O3/c1-39-28-3-2-19(9-34-28)14-37-21-6-22(37)16-36(15-21)27-13-32-26(12-33-27)25-7-23(41-18-24-11-31-4-5-40-24)17-38-29(25)20(8-30)10-35-38/h2-3,7,9-10,12-13,17,21-22,24,31H,4-6,11,14-16,18H2,1H3/t21?,22?,24-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE -TK assay tech... |
US Patent US10172851 (2019)
BindingDB Entry DOI: 10.7270/Q2GM89CV |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM296817
(US10112942, Example 552 | US10137124, Example 552 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2cnc(cn2)-c2cc(OC[C@H]3CNCCO3)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C29H31N9O3/c1-39-28-3-2-19(9-34-28)14-37-21-6-22(37)16-36(15-21)27-13-32-26(12-33-27)25-7-23(41-18-24-11-31-4-5-40-24)17-38-29(25)20(8-30)10-35-38/h2-3,7,9-10,12-13,17,21-22,24,31H,4-6,11,14-16,18H2,1H3/t21?,22?,24-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK assay tec... |
US Patent US10137124 (2018)
BindingDB Entry DOI: 10.7270/Q28S4RZ6 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM296817
(US10112942, Example 552 | US10137124, Example 552 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2cnc(cn2)-c2cc(OC[C@H]3CNCCO3)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C29H31N9O3/c1-39-28-3-2-19(9-34-28)14-37-21-6-22(37)16-36(15-21)27-13-32-26(12-33-27)25-7-23(41-18-24-11-31-4-5-40-24)17-38-29(25)20(8-30)10-35-38/h2-3,7,9-10,12-13,17,21-22,24,31H,4-6,11,14-16,18H2,1H3/t21?,22?,24-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Array BioPharma Inc.
US Patent
| Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK assay tec... |
US Patent US10112942 (2018)
BindingDB Entry DOI: 10.7270/Q2S75JB5 |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50332329
((S)-2-(4-chlorobenzyl)-3-(isopropylamino)-1-(4-((S...)Show SMILES CC(C)NC[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ncnc2CS[C@@H](C)c12 |r| Show InChI InChI=1S/C24H32ClN5OS/c1-16(2)26-13-19(12-18-4-6-20(25)7-5-18)24(31)30-10-8-29(9-11-30)23-22-17(3)32-14-21(22)27-15-28-23/h4-7,15-17,19,26H,8-14H2,1-3H3/t17-,19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
Curated by ChEMBL
| Assay Description Inhibition of Akt1 |
Bioorg Med Chem Lett 20: 7037-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.112 BindingDB Entry DOI: 10.7270/Q2TM7BBJ |
More data for this Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50398382
(CHEMBL2177387)Show SMILES CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2CC[C@@H](C=C)c12)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H32ClN5O/c1-4-18-7-10-22-23(18)24(29-16-28-22)30-11-13-31(14-12-30)25(32)21(15-27-17(2)3)19-5-8-20(26)9-6-19/h4-6,8-9,16-18,21,27H,1,7,10-15H2,2-3H3/t18-,21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
Curated by ChEMBL
| Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt3 expressed in recombinant baculovirus system using fluo... |
J Med Chem 55: 8110-27 (2012)
Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160 |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50327782
((R)-2-amino-3-(4-chlorophenyl)-1-(4-(5-methyl-7H-p...)Show SMILES Cc1c[nH]c2ncnc(N3CCN(CC3)C(=O)[C@H](N)Cc3ccc(Cl)cc3)c12 |r| Show InChI InChI=1S/C20H23ClN6O/c1-13-11-23-18-17(13)19(25-12-24-18)26-6-8-27(9-7-26)20(28)16(22)10-14-2-4-15(21)5-3-14/h2-5,11-12,16H,6-10,22H2,1H3,(H,23,24,25)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description Inhibition of AKT1 by IMAP assay |
Bioorg Med Chem Lett 20: 5607-12 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.053 BindingDB Entry DOI: 10.7270/Q2M908XQ |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM296817
(US10112942, Example 552 | US10137124, Example 552 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2cnc(cn2)-c2cc(OC[C@H]3CNCCO3)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C29H31N9O3/c1-39-28-3-2-19(9-34-28)14-37-21-6-22(37)16-36(15-21)27-13-32-26(12-33-27)25-7-23(41-18-24-11-31-4-5-40-24)17-38-29(25)20(8-30)10-35-38/h2-3,7,9-10,12-13,17,21-22,24,31H,4-6,11,14-16,18H2,1H3/t21?,22?,24-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Array Biopharma Inc.
US Patent
| Assay Description RET: Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE™-TK assa... |
US Patent US10953005 (2021)
BindingDB Entry DOI: 10.7270/Q2668H9T |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50332316
((R)-2-amino-3-(4-chlorophenyl)-1-(4-((S)-5-methyl-...)Show SMILES C[C@@H]1SCc2ncnc(N3CCN(CC3)C(=O)[C@H](N)Cc3ccc(Cl)cc3)c12 |r| Show InChI InChI=1S/C20H24ClN5OS/c1-13-18-17(11-28-13)23-12-24-19(18)25-6-8-26(9-7-25)20(27)16(22)10-14-2-4-15(21)5-3-14/h2-5,12-13,16H,6-11,22H2,1H3/t13-,16+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
Curated by ChEMBL
| Assay Description Inhibition of Akt1 |
Bioorg Med Chem Lett 20: 7037-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.112 BindingDB Entry DOI: 10.7270/Q2TM7BBJ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25627
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.16 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25639
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | 7.2 | 22 |
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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50344483
(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 |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.25 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50344480
(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 |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50344480
(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 |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50344464
(6-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)napht...)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 | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25653
(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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50340304
(CHEMBL1760759 | N-(2-ethoxyethyl)-N-((2S)-2-hydrox...)Show SMILES CCOCCN(C[C@@H](O)CN1CCCC2(CCN(C2)c2ncnc3[nH]cc(C)c23)C1)S(=O)(=O)c1c(C)cccc1C |r| Show InChI InChI=1S/C30H44N6O4S/c1-5-40-15-14-36(41(38,39)27-22(2)8-6-9-23(27)3)18-25(37)17-34-12-7-10-30(19-34)11-13-35(20-30)29-26-24(4)16-31-28(26)32-21-33-29/h6,8-9,16,21,25,37H,5,7,10-15,17-20H2,1-4H3,(H,31,32,33)/t25-,30?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
Curated by ChEMBL
| Assay Description Inhibition of Akt1 |
Bioorg Med Chem Lett 21: 2335-40 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.098 BindingDB Entry DOI: 10.7270/Q2H132B2 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM296818
(US10112942, Example 553 | US10137124, Example 553 ...)Show SMILES COc1ccc(CN2C3CC2CN(C3)c2cnc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C28H28FN9O2/c1-39-26-3-2-18(7-34-26)11-37-20-4-21(37)13-36(12-20)25-10-32-24(9-33-25)23-5-22(40-17-28(29)15-31-16-28)14-38-27(23)19(6-30)8-35-38/h2-3,5,7-10,14,20-21,31H,4,11-13,15-17H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Array Biopharma Inc.
US Patent
| Assay Description RET: Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE™-TK assa... |
US Patent US10953005 (2021)
BindingDB Entry DOI: 10.7270/Q2668H9T |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM305704
(2-chloro-N-((3S,4S)-1-(5- (3-cyano-6- ethoxypyrazo...)Show SMILES CCOc1cc(-c2ccc(nc2)N2CC[C@H](NC(=O)c3cc(F)ccc3Cl)[C@@H](O)C2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C27H24ClFN6O3/c1-2-38-19-10-20(26-17(11-30)13-32-35(26)14-19)16-3-6-25(31-12-16)34-8-7-23(24(36)15-34)33-27(37)21-9-18(29)4-5-22(21)28/h3-6,9-10,12-14,23-24,36H,2,7-8,15H2,1H3,(H,33,37)/t23-,24-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Array Biopharma Inc.
US Patent
| Assay Description Wildtype and V804M mutant: Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's ... |
US Patent US10881652 (2021)
BindingDB Entry DOI: 10.7270/Q2ZG6WBN |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25649
((1E)-5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]...)Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc2C(NO)=NCc2c1 |c:20| 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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | <2 | n/a | n/a | n/a | n/a | n/a | n/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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50398372
(CHEMBL2177378)Show SMILES C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNC(C)(C)CO)c3ccc(Cl)cc3)c12 |r| Show InChI InChI=1S/C25H34ClN5O3/c1-16-12-20(33)22-21(16)23(28-15-27-22)30-8-10-31(11-9-30)24(34)19(13-29-25(2,3)14-32)17-4-6-18(26)7-5-17/h4-7,15-16,19-20,29,32-33H,8-14H2,1-3H3/t16-,19-,20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
Curated by ChEMBL
| Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt1 expressed in recombinant baculovirus system using fluo... |
J Med Chem 55: 8110-27 (2012)
Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160 |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50398382
(CHEMBL2177387)Show SMILES CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2CC[C@@H](C=C)c12)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H32ClN5O/c1-4-18-7-10-22-23(18)24(29-16-28-22)30-11-13-31(14-12-30)25(32)21(15-27-17(2)3)19-5-8-20(26)9-6-19/h4-6,8-9,16-18,21,27H,1,7,10-15H2,2-3H3/t18-,21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
Curated by ChEMBL
| Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt1 expressed in recombinant baculovirus system using fluo... |
J Med Chem 55: 8110-27 (2012)
Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50344476
(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 |r| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50327783
((R)-2-amino-3-(4-chlorophenyl)-1-(4-(5-ethyl-7H-py...)Show SMILES CCc1c[nH]c2ncnc(N3CCN(CC3)C(=O)[C@H](N)Cc3ccc(Cl)cc3)c12 |r| Show InChI InChI=1S/C21H25ClN6O/c1-2-15-12-24-19-18(15)20(26-13-25-19)27-7-9-28(10-8-27)21(29)17(23)11-14-3-5-16(22)6-4-14/h3-6,12-13,17H,2,7-11,23H2,1H3,(H,24,25,26)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description Inhibition of AKT1 by IMAP assay |
Bioorg Med Chem Lett 20: 5607-12 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.053 BindingDB Entry DOI: 10.7270/Q2M908XQ |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50327784
((R)-2-amino-3-(4-chlorophenyl)-1-(4-(5-cyclopropyl...)Show SMILES N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ncnc2[nH]cc(C3CC3)c12 |r| Show InChI InChI=1S/C22H25ClN6O/c23-16-5-1-14(2-6-16)11-18(24)22(30)29-9-7-28(8-10-29)21-19-17(15-3-4-15)12-25-20(19)26-13-27-21/h1-2,5-6,12-13,15,18H,3-4,7-11,24H2,(H,25,26,27)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description Inhibition of AKT1 by IMAP assay |
Bioorg Med Chem Lett 20: 5607-12 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.053 BindingDB Entry DOI: 10.7270/Q2M908XQ |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50327787
((S)-3-amino-2-(4-chlorobenzyl)-1-(4-(5-methyl-7H-p...)Show SMILES Cc1c[nH]c2ncnc(N3CCN(CC3)C(=O)[C@H](CN)Cc3ccc(Cl)cc3)c12 |r| Show InChI InChI=1S/C21H25ClN6O/c1-14-12-24-19-18(14)20(26-13-25-19)27-6-8-28(9-7-27)21(29)16(11-23)10-15-2-4-17(22)5-3-15/h2-5,12-13,16H,6-11,23H2,1H3,(H,24,25,26)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description Inhibition of AKT1 by IMAP assay |
Bioorg Med Chem Lett 20: 5607-12 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.053 BindingDB Entry DOI: 10.7270/Q2M908XQ |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50327792
((S)-1-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazi...)Show SMILES NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H21ClN6O/c20-14-3-1-13(2-4-14)16(11-21)19(27)26-9-7-25(8-10-26)18-15-5-6-22-17(15)23-12-24-18/h1-6,12,16H,7-11,21H2,(H,22,23,24)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description Inhibition of AKT1 by IMAP assay |
Bioorg Med Chem Lett 20: 5607-12 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.053 BindingDB Entry DOI: 10.7270/Q2M908XQ |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50327794
((S)-3-amino-1-(4-(5-chloro-7H-pyrrolo[2,3-d]pyrimi...)Show SMILES NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[nH]cc(Cl)c12)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H19Cl3N6O/c20-13-2-1-11(7-14(13)21)12(8-23)19(29)28-5-3-27(4-6-28)18-16-15(22)9-24-17(16)25-10-26-18/h1-2,7,9-10,12H,3-6,8,23H2,(H,24,25,26)/t12-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description Inhibition of AKT1 by IMAP assay |
Bioorg Med Chem Lett 20: 5607-12 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.053 BindingDB Entry DOI: 10.7270/Q2M908XQ |
More data for this Ligand-Target Pair | |