Found 103 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103683
(US8563553, 108)Show SMILES CCCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(nc2-c2ccnc(N)n2)C(C)(C)C)c1F Show InChI InChI=1S/C20H24ClFN6O2S/c1-5-8-31(29,30)28-14-10-11(21)9-12(15(14)22)16-17(13-6-7-24-19(23)25-13)27-18(26-16)20(2,3)4/h6-7,9-10,28H,5,8H2,1-4H3,(H,26,27)(H2,23,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103702
(US8563553, 127)Show SMILES CS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(nc2-c2ccnc(NCCC#N)n2)C2CC2)c1F Show InChI InChI=1S/C20H19ClFN7O2S/c1-32(30,31)29-15-10-12(21)9-13(16(15)22)17-18(28-19(27-17)11-3-4-11)14-5-8-25-20(26-14)24-7-2-6-23/h5,8-11,29H,2-4,7H2,1H3,(H,27,28)(H,24,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103684
(US8563553, 109)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(=O)(=O)c2c(F)cccc2F)c1Cl)C1CC1 |r| Show InChI InChI=1S/C27H25ClF3N7O4S/c1-13(34-27(39)42-2)12-33-26-32-9-8-19(35-26)23-22(36-25(37-23)14-6-7-14)16-10-15(29)11-20(21(16)28)38-43(40,41)24-17(30)4-3-5-18(24)31/h3-5,8-11,13-14,38H,6-7,12H2,1-2H3,(H,34,39)(H,36,37)(H,32,33,35)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103632
(US8563553, 57)Show SMILES CCS(=O)(=O)Nc1cc(Cl)cc(c1)-c1[nH]c(nc1-c1ccnc(NC[C@H](C)NC(=O)OC)n1)C(C)(C)C |r| Show InChI InChI=1S/C24H32ClN7O4S/c1-7-37(34,35)32-17-11-15(10-16(25)12-17)19-20(31-21(30-19)24(3,4)5)18-8-9-26-22(29-18)27-13-14(2)28-23(33)36-6/h8-12,14,32H,7,13H2,1-6H3,(H,28,33)(H,30,31)(H,26,27,29)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103681
(US8563553, 106)Show SMILES Nc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)c2c(F)cccc2F)c1F)C1CC1 Show InChI InChI=1S/C22H16ClF3N6O2S/c23-11-8-12(17(26)16(9-11)32-35(33,34)20-13(24)2-1-3-14(20)25)18-19(15-6-7-28-22(27)29-15)31-21(30-18)10-4-5-10/h1-3,6-10,32H,4-5H2,(H,30,31)(H2,27,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103629
(US8563553, 54)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)C2CC2)c1)C(C)(C)C |r| Show InChI InChI=1S/C25H32ClN7O4S/c1-14(29-24(34)37-5)13-28-23-27-9-8-19(30-23)21-20(31-22(32-21)25(2,3)4)15-10-16(26)12-17(11-15)33-38(35,36)18-6-7-18/h8-12,14,18,33H,6-7,13H2,1-5H3,(H,29,34)(H,31,32)(H,27,28,30)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103628
(US8563553, 53)Show SMILES CCCS(=O)(=O)Nc1cc(Cl)cc(c1)-c1[nH]c(nc1-c1ccnc(NC[C@H](C)NC(=O)OC)n1)C(C)(C)C |r| Show InChI InChI=1S/C25H34ClN7O4S/c1-7-10-38(35,36)33-18-12-16(11-17(26)13-18)20-21(32-22(31-20)25(3,4)5)19-8-9-27-23(30-19)28-14-15(2)29-24(34)37-6/h8-9,11-13,15,33H,7,10,14H2,1-6H3,(H,29,34)(H,31,32)(H,27,28,30)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103699
(US8563553, 124)Show SMILES CCCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(nc2-c2ccnc(NC)n2)C2CC2)c1Cl Show InChI InChI=1S/C20H22ClFN6O2S/c1-3-8-31(29,30)28-15-10-12(22)9-13(16(15)21)17-18(27-19(26-17)11-4-5-11)14-6-7-24-20(23-2)25-14/h6-7,9-11,28H,3-5,8H2,1-2H3,(H,26,27)(H,23,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103677
(US8563553, 102)Show SMILES CC1(CC1)c1nc(c([nH]1)-c1cc(Cl)cc(NS(C)(=O)=O)c1F)-c1ccnc(NCCC#N)n1 Show InChI InChI=1S/C21H21ClFN7O2S/c1-21(5-6-21)19-28-17(13-10-12(22)11-15(16(13)23)30-33(2,31)32)18(29-19)14-4-9-26-20(27-14)25-8-3-7-24/h4,9-11,30H,3,5-6,8H2,1-2H3,(H,28,29)(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103723
(US8563553, 148)Show SMILES CCCS(=O)(=O)Nc1c(F)ccc(-c2[nH]c(nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)(C)C)c1F |r| Show InChI InChI=1S/C25H33F2N7O4S/c1-7-12-39(36,37)34-20-16(26)9-8-15(18(20)27)19-21(33-22(32-19)25(3,4)5)17-10-11-28-23(31-17)29-13-14(2)30-24(35)38-6/h8-11,14,34H,7,12-13H2,1-6H3,(H,30,35)(H,32,33)(H,28,29,31)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103721
(US8563553, 146)Show SMILES CCCS(=O)(=O)Nc1cccc(-c2[nH]c(nc2-c2ccnc(NCCC#N)n2)C2CC2)c1F Show InChI InChI=1S/C22H24FN7O2S/c1-2-13-33(31,32)30-16-6-3-5-15(18(16)23)19-20(29-21(28-19)14-7-8-14)17-9-12-26-22(27-17)25-11-4-10-24/h3,5-6,9,12,14,30H,2,4,7-8,11,13H2,1H3,(H,28,29)(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103680
(US8563553, 105)Show SMILES CC(C)(C)c1nc(c([nH]1)-c1cc(Cl)cc(NS(=O)(=O)c2c(F)cccc2F)c1F)-c1ccnc(N)n1 Show InChI InChI=1S/C23H20ClF3N6O2S/c1-23(2,3)21-31-18(19(32-21)15-7-8-29-22(28)30-15)12-9-11(24)10-16(17(12)27)33-36(34,35)20-13(25)5-4-6-14(20)26/h4-10,33H,1-3H3,(H,31,32)(H2,28,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103715
(US8563553, 140)Show SMILES CCCS(=O)(=O)Nc1cccc(-c2[nH]c(nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C2CC2)c1Cl |r| Show InChI InChI=1S/C24H30ClN7O4S/c1-4-12-37(34,35)32-17-7-5-6-16(19(17)25)20-21(31-22(30-20)15-8-9-15)18-10-11-26-23(29-18)27-13-14(2)28-24(33)36-3/h5-7,10-11,14-15,32H,4,8-9,12-13H2,1-3H3,(H,28,33)(H,30,31)(H,26,27,29)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103717
(US8563553, 142)Show SMILES CCCS(=O)(=O)Nc1cccc(-c2[nH]c(nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C2CC2)c1F |r| Show InChI InChI=1S/C24H30FN7O4S/c1-4-12-37(34,35)32-17-7-5-6-16(19(17)25)20-21(31-22(30-20)15-8-9-15)18-10-11-26-23(29-18)27-13-14(2)28-24(33)36-3/h5-7,10-11,14-15,32H,4,8-9,12-13H2,1-3H3,(H,28,33)(H,30,31)(H,26,27,29)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103648
(US8563553, 73)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)C2CC2)c1F)C1CC1 |r| Show InChI InChI=1S/C24H27ClFN7O4S/c1-12(29-24(34)37-2)11-28-23-27-8-7-17(30-23)21-20(31-22(32-21)13-3-4-13)16-9-14(25)10-18(19(16)26)33-38(35,36)15-5-6-15/h7-10,12-13,15,33H,3-6,11H2,1-2H3,(H,29,34)(H,31,32)(H,27,28,30)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103647
(US8563553, 72)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(C)(=O)=O)c1Cl)C1CC1 |r| Show InChI InChI=1S/C22H25Cl2N7O4S/c1-11(27-22(32)35-2)10-26-21-25-7-6-15(28-21)19-18(29-20(30-19)12-4-5-12)14-8-13(23)9-16(17(14)24)31-36(3,33)34/h6-9,11-12,31H,4-5,10H2,1-3H3,(H,27,32)(H,29,30)(H,25,26,28)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103693
(US8563553, 118)Show SMILES Nc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(=O)(=O)c2c(F)cccc2F)c1Cl)C1CC1 Show InChI InChI=1S/C22H16ClF3N6O2S/c23-17-12(18-19(15-6-7-28-22(27)29-15)31-21(30-18)10-4-5-10)8-11(24)9-16(17)32-35(33,34)20-13(25)2-1-3-14(20)26/h1-3,6-10,32H,4-5H2,(H,30,31)(H2,27,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103625
(US8563553, 50)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(C)cc(NS(C)(=O)=O)c1F)C1CC1 |r| Show InChI InChI=1S/C23H28FN7O4S/c1-12-9-15(18(24)17(10-12)31-36(4,33)34)19-20(30-21(29-19)14-5-6-14)16-7-8-25-22(28-16)26-11-13(2)27-23(32)35-3/h7-10,13-14,31H,5-6,11H2,1-4H3,(H,27,32)(H,29,30)(H,25,26,28)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103624
(US8563553, 49)Show SMILES Cl.COC(=O)N[C@@H](C)CNc1nccc(n1)-c1[nH]c(nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1F)C1CC1 |r| Show InChI InChI=1S/C22H25ClFN7O4S.ClH/c1-11(27-22(32)35-2)10-26-21-25-7-6-15(28-21)19-18(29-20(30-19)12-4-5-12)14-8-13(23)9-16(17(14)24)31-36(3,33)34;/h6-9,11-12,31H,4-5,10H2,1-3H3,(H,27,32)(H,29,30)(H,25,26,28);1H/t11-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103694
(US8563553, 119)Show SMILES CCCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(nc2-c2ccnc(N)n2)C2CC2)c1Cl Show InChI InChI=1S/C19H20ClFN6O2S/c1-2-7-30(28,29)27-14-9-11(21)8-12(15(14)20)16-17(13-5-6-23-19(22)24-13)26-18(25-16)10-3-4-10/h5-6,8-10,27H,2-4,7H2,1H3,(H,25,26)(H2,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103645
(US8563553, 70)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(C)(=O)=O)c1F)C1CC1 |r| Show InChI InChI=1S/C22H25F2N7O4S/c1-11(27-22(32)35-2)10-26-21-25-7-6-15(28-21)19-18(29-20(30-19)12-4-5-12)14-8-13(23)9-16(17(14)24)31-36(3,33)34/h6-9,11-12,31H,4-5,10H2,1-3H3,(H,27,32)(H,29,30)(H,25,26,28)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103686
(US8563553, 111)Show SMILES CC(C)(C)c1nc(c([nH]1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1Cl)-c1ccnc(N)n1 Show InChI InChI=1S/C23H21ClF2N6O2S/c1-23(2,3)21-30-18(19(31-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)24)32-35(33,34)20-13(25)7-5-8-14(20)26/h4-11,32H,1-3H3,(H,30,31)(H2,27,28,29) | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103674
(US8563553, 99)Show SMILES CC1(CC1)c1nc(c([nH]1)-c1cc(F)cc(NS(C)(=O)=O)c1Cl)-c1ccnc(NCCC#N)n1 Show InChI InChI=1S/C21H21ClFN7O2S/c1-21(5-6-21)19-28-17(13-10-12(23)11-15(16(13)22)30-33(2,31)32)18(29-19)14-4-9-26-20(27-14)25-8-3-7-24/h4,9-11,30H,3,5-6,8H2,1-2H3,(H,28,29)(H,25,26,27) | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
Similars
| US Patent
| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103695
(US8563553, 120)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(C)(=O)=O)c1F)C1CCC1 |r| Show InChI InChI=1S/C23H27ClFN7O4S/c1-12(28-23(33)36-2)11-27-22-26-8-7-16(29-22)20-19(30-21(31-20)13-5-4-6-13)15-9-14(24)10-17(18(15)25)32-37(3,34)35/h7-10,12-13,32H,4-6,11H2,1-3H3,(H,28,33)(H,30,31)(H,26,27,29)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
Similars
| US Patent
| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103649
(US8563553, 74)Show SMILES CCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C2CC2)c1F |r| Show InChI InChI=1S/C23H27ClFN7O4S/c1-4-37(34,35)32-17-10-14(24)9-15(18(17)25)19-20(31-21(30-19)13-5-6-13)16-7-8-26-22(29-16)27-11-12(2)28-23(33)36-3/h7-10,12-13,32H,4-6,11H2,1-3H3,(H,28,33)(H,30,31)(H,26,27,29)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
Similars
| US Patent
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103690
(US8563553, 115)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(C)cc(NS(=O)(=O)CC(F)(F)F)c1F)C1CC1 |r| Show InChI InChI=1S/C24H27F4N7O4S/c1-12-8-15(18(25)17(9-12)35-40(37,38)11-24(26,27)28)19-20(34-21(33-19)14-4-5-14)16-6-7-29-22(32-16)30-10-13(2)31-23(36)39-3/h6-9,13-14,35H,4-5,10-11H2,1-3H3,(H,31,36)(H,33,34)(H,29,30,32)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
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Similars
| US Patent
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103691
(US8563553, 116)Show SMILES CC(C)(C)c1nc(c([nH]1)-c1cc(F)cc(NS(=O)(=O)c2c(F)cccc2F)c1Cl)-c1ccnc(N)n1 Show InChI InChI=1S/C23H20ClF3N6O2S/c1-23(2,3)21-31-18(19(32-21)15-7-8-29-22(28)30-15)12-9-11(25)10-16(17(12)24)33-36(34,35)20-13(26)5-4-6-14(20)27/h4-10,33H,1-3H3,(H,31,32)(H2,28,29,30) | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
Similars
| US Patent
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103652
(US8563553, 77)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)CC2CC2)c1F)C1CC1 |r| Show InChI InChI=1S/C25H29ClFN7O4S/c1-13(30-25(35)38-2)11-29-24-28-8-7-18(31-24)22-21(32-23(33-22)15-5-6-15)17-9-16(26)10-19(20(17)27)34-39(36,37)12-14-3-4-14/h7-10,13-15,34H,3-6,11-12H2,1-2H3,(H,30,35)(H,32,33)(H,28,29,31)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103703
(US8563553, 128)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NS(=O)(=O)C2CC2)c1F)C(C)(C)C |r| Show InChI InChI=1S/C25H32FN7O4S/c1-14(29-24(34)37-5)13-28-23-27-12-11-18(30-23)21-20(31-22(32-21)25(2,3)4)16-7-6-8-17(19(16)26)33-38(35,36)15-9-10-15/h6-8,11-12,14-15,33H,9-10,13H2,1-5H3,(H,29,34)(H,31,32)(H,27,28,30)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103658
(US8563553, 83)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(C)(=O)=O)c1F)C(C)(C)C |r| Show InChI InChI=1S/C23H29ClFN7O4S/c1-12(28-22(33)36-5)11-27-21-26-8-7-15(29-21)19-18(30-20(31-19)23(2,3)4)14-9-13(24)10-16(17(14)25)32-37(6,34)35/h7-10,12,32H,11H2,1-6H3,(H,28,33)(H,30,31)(H,26,27,29)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103675
(US8563553, 100)Show SMILES Cc1cc(NS(C)(=O)=O)c(Cl)c(c1)-c1[nH]c(nc1-c1ccnc(NCCC#N)n1)C1(C)CC1 Show InChI InChI=1S/C22H24ClN7O2S/c1-13-11-14(17(23)16(12-13)30-33(3,31)32)18-19(29-20(28-18)22(2)6-7-22)15-5-10-26-21(27-15)25-9-4-8-24/h5,10-12,30H,4,6-7,9H2,1-3H3,(H,28,29)(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103630
(US8563553, 55)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)CC(C)C)c1)C(C)(C)C |r| Show InChI InChI=1S/C26H36ClN7O4S/c1-15(2)14-39(36,37)34-19-11-17(10-18(27)12-19)21-22(33-23(32-21)26(4,5)6)20-8-9-28-24(31-20)29-13-16(3)30-25(35)38-7/h8-12,15-16,34H,13-14H2,1-7H3,(H,30,35)(H,32,33)(H,28,29,31)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
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Similars
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103654
(US8563553, 79)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(=O)(=O)C2CC2)c1Cl)C1CC1 |r| Show InChI InChI=1S/C24H27ClFN7O4S/c1-12(29-24(34)37-2)11-28-23-27-8-7-17(30-23)21-20(31-22(32-21)13-3-4-13)16-9-14(26)10-18(19(16)25)33-38(35,36)15-5-6-15/h7-10,12-13,15,33H,3-6,11H2,1-2H3,(H,29,34)(H,31,32)(H,27,28,30)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103626
(US8563553, 51)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(C)(=O)=O)c1)C(C)(C)C |r| Show InChI InChI=1S/C23H30ClN7O4S/c1-13(27-22(32)35-5)12-26-21-25-8-7-17(28-21)19-18(29-20(30-19)23(2,3)4)14-9-15(24)11-16(10-14)31-36(6,33)34/h7-11,13,31H,12H2,1-6H3,(H,27,32)(H,29,30)(H,25,26,28)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103673
(US8563553, 98)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)c2cccc(F)c2)c1F)C1CC1 |r| Show InChI InChI=1S/C27H26ClF2N7O4S/c1-14(33-27(38)41-2)13-32-26-31-9-8-20(34-26)24-23(35-25(36-24)15-6-7-15)19-10-16(28)11-21(22(19)30)37-42(39,40)18-5-3-4-17(29)12-18/h3-5,8-12,14-15,37H,6-7,13H2,1-2H3,(H,33,38)(H,35,36)(H,31,32,34)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103676
(US8563553, 101)Show SMILES Cc1cc(NS(C)(=O)=O)c(F)c(c1)-c1[nH]c(nc1-c1ccnc(NCCC#N)n1)C1(C)CC1 Show InChI InChI=1S/C22H24FN7O2S/c1-13-11-14(17(23)16(12-13)30-33(3,31)32)18-19(29-20(28-18)22(2)6-7-22)15-5-10-26-21(27-15)25-9-4-8-24/h5,10-12,30H,4,6-7,9H2,1-3H3,(H,28,29)(H,25,26,27) | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
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Similars
| US Patent
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103688
(US8563553, 113)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)c2cc(F)cc(F)c2)c1F)C1CC1 |r| Show InChI InChI=1S/C27H25ClF3N7O4S/c1-13(34-27(39)42-2)12-33-26-32-6-5-20(35-26)24-23(36-25(37-24)14-3-4-14)19-7-15(28)8-21(22(19)31)38-43(40,41)18-10-16(29)9-17(30)11-18/h5-11,13-14,38H,3-4,12H2,1-2H3,(H,34,39)(H,36,37)(H,32,33,35)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
Similars
| US Patent
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103716
(US8563553, 141)Show SMILES CCCS(=O)(=O)Nc1cccc(-c2[nH]c(nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)(C)C)c1F |r| Show InChI InChI=1S/C25H34FN7O4S/c1-7-13-38(35,36)33-17-10-8-9-16(19(17)26)20-21(32-22(31-20)25(3,4)5)18-11-12-27-23(30-18)28-14-15(2)29-24(34)37-6/h8-12,15,33H,7,13-14H2,1-6H3,(H,29,34)(H,31,32)(H,27,28,30)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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Similars
| US Patent
| n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103663
(US8563553, 88)Show SMILES CCCNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(=O)(=O)CCC)c1Cl)C1CC1 Show InChI InChI=1S/C22H26ClFN6O2S/c1-3-8-25-22-26-9-7-16(27-22)20-19(28-21(29-20)13-5-6-13)15-11-14(24)12-17(18(15)23)30-33(31,32)10-4-2/h7,9,11-13,30H,3-6,8,10H2,1-2H3,(H,28,29)(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103726
(US8563553, 151)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(C)(=O)=O)c1Cl)C1CC1 |r| Show InChI InChI=1S/C22H25ClFN7O4S/c1-11(27-22(32)35-2)10-26-21-25-7-6-15(28-21)19-18(29-20(30-19)12-4-5-12)14-8-13(24)9-16(17(14)23)31-36(3,33)34/h6-9,11-12,31H,4-5,10H2,1-3H3,(H,27,32)(H,29,30)(H,25,26,28)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103653
(US8563553, 78)Show SMILES CCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C2CC2)c1Cl |r| Show InChI InChI=1S/C23H27ClFN7O4S/c1-4-37(34,35)32-17-10-14(25)9-15(18(17)24)19-20(31-21(30-19)13-5-6-13)16-7-8-26-22(29-16)27-11-12(2)28-23(33)36-3/h7-10,12-13,32H,4-6,11H2,1-3H3,(H,28,33)(H,30,31)(H,26,27,29)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
Similars
| US Patent
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103655
(US8563553, 80)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(-c2[nH]c(nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C2CC2)c1Cl |r,wU:25.26,(-5.86,4.43,;-4.77,3.35,;-3.28,3.74,;-2.2,2.66,;-1.11,3.74,;-3.28,1.57,;-1.11,1.57,;.38,1.96,;.78,3.45,;2.27,3.85,;3.36,2.76,;4.84,3.16,;2.96,1.27,;4.05,.19,;5.51,.66,;6.42,-.58,;5.51,-1.83,;4.05,-1.35,;2.71,-2.12,;2.71,-3.66,;1.38,-4.43,;.05,-3.66,;.05,-2.12,;-1.29,-1.35,;-2.62,-2.12,;-3.96,-1.35,;-3.96,.19,;-5.29,-2.12,;-6.62,-1.35,;-6.62,.19,;-7.96,-2.12,;-9.29,-1.35,;1.38,-1.35,;7.96,-.58,;9.29,-1.35,;9.29,.19,;1.47,.88,;1.07,-.61,)| Show InChI InChI=1S/C24H29ClFN7O4S/c1-4-11-38(35,36)33-16-8-7-15(26)18(19(16)25)21-20(31-22(32-21)14-5-6-14)17-9-10-27-23(30-17)28-12-13(2)29-24(34)37-3/h7-10,13-14,33H,4-6,11-12H2,1-3H3,(H,29,34)(H,31,32)(H,27,28,30)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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Similars
| US Patent
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103659
(US8563553, 84)Show SMILES CCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)(C)C)c1F |r| Show InChI InChI=1S/C24H31ClFN7O4S/c1-7-38(35,36)33-17-11-14(25)10-15(18(17)26)19-20(32-21(31-19)24(3,4)5)16-8-9-27-22(30-16)28-12-13(2)29-23(34)37-6/h8-11,13,33H,7,12H2,1-6H3,(H,29,34)(H,31,32)(H,27,28,30)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103643
(US8563553, 68)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NS(C)(=O)=O)c1Cl)C1CC1 |r| Show InChI InChI=1S/C22H26ClN7O4S/c1-12(26-22(31)34-2)11-25-21-24-10-9-16(27-21)19-18(28-20(29-19)13-7-8-13)14-5-4-6-15(17(14)23)30-35(3,32)33/h4-6,9-10,12-13,30H,7-8,11H2,1-3H3,(H,26,31)(H,28,29)(H,24,25,27)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103642
(US8563553, 67)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(C)(=O)=O)c1)C1CC1 |r| Show InChI InChI=1S/C22H26ClN7O4S/c1-12(26-22(31)34-2)11-25-21-24-7-6-17(27-21)19-18(28-20(29-19)13-4-5-13)14-8-15(23)10-16(9-14)30-35(3,32)33/h6-10,12-13,30H,4-5,11H2,1-3H3,(H,26,31)(H,28,29)(H,24,25,27)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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Similars
| US Patent
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103631
(US8563553, 56)Show SMILES CCC(C)S(=O)(=O)Nc1cc(Cl)cc(c1)-c1[nH]c(nc1-c1ccnc(NC[C@H](C)NC(=O)OC)n1)C(C)(C)C |r| Show InChI InChI=1S/C26H36ClN7O4S/c1-8-16(3)39(36,37)34-19-12-17(11-18(27)13-19)21-22(33-23(32-21)26(4,5)6)20-9-10-28-24(31-20)29-14-15(2)30-25(35)38-7/h9-13,15-16,34H,8,14H2,1-7H3,(H,30,35)(H,32,33)(H,28,29,31)/t15-,16?/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103720
(US8563553, 145)Show SMILES CCCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)(C)C)c1F |r| Show InChI InChI=1S/C25H33ClFN7O4S/c1-7-10-39(36,37)34-18-12-15(26)11-16(19(18)27)20-21(33-22(32-20)25(3,4)5)17-8-9-28-23(31-17)29-13-14(2)30-24(35)38-6/h8-9,11-12,14,34H,7,10,13H2,1-6H3,(H,30,35)(H,32,33)(H,28,29,31)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103644
(US8563553, 69)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NS(C)(=O)=O)c1F)C1CC1 |r| Show InChI InChI=1S/C22H26FN7O4S/c1-12(26-22(31)34-2)11-25-21-24-10-9-16(27-21)19-18(28-20(29-19)13-7-8-13)14-5-4-6-15(17(14)23)30-35(3,32)33/h4-6,9-10,12-13,30H,7-8,11H2,1-3H3,(H,26,31)(H,28,29)(H,24,25,27)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103650
(US8563553, 75)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)CCC(F)(F)F)c1F)C1CC1 |r| Show InChI InChI=1S/C24H26ClF4N7O4S/c1-12(32-23(37)40-2)11-31-22-30-7-5-16(33-22)20-19(34-21(35-20)13-3-4-13)15-9-14(25)10-17(18(15)26)36-41(38,39)8-6-24(27,28)29/h5,7,9-10,12-13,36H,3-4,6,8,11H2,1-2H3,(H,32,37)(H,34,35)(H,30,31,33)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103704
(US8563553, 129)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NS(C)(=O)=O)c1F)C(C)(C)C |r| Show InChI InChI=1S/C23H30FN7O4S/c1-13(27-22(32)35-5)12-26-21-25-11-10-16(28-21)19-18(29-20(30-19)23(2,3)4)14-8-7-9-15(17(14)24)31-36(6,33)34/h7-11,13,31H,12H2,1-6H3,(H,27,32)(H,29,30)(H,25,26,28)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103636
(US8563553, 61)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)C(C)C)c1)C1CC1 |r| Show InChI InChI=1S/C24H30ClN7O4S/c1-13(2)37(34,35)32-18-10-16(9-17(25)11-18)20-21(31-22(30-20)15-5-6-15)19-7-8-26-23(29-19)27-12-14(3)28-24(33)36-4/h7-11,13-15,32H,5-6,12H2,1-4H3,(H,28,33)(H,30,31)(H,26,27,29)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103705
(US8563553, 130)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NS(=O)(=O)C(C)C)c1F)C(C)(C)C |r| Show InChI InChI=1S/C25H34FN7O4S/c1-14(2)38(35,36)33-17-10-8-9-16(19(17)26)20-21(32-22(31-20)25(4,5)6)18-11-12-27-23(30-18)28-13-15(3)29-24(34)37-7/h8-12,14-15,33H,13H2,1-7H3,(H,29,34)(H,31,32)(H,27,28,30)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103646
(US8563553, 71)Show SMILES CCCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C2CC2)c1F |r| Show InChI InChI=1S/C24H29ClFN7O4S/c1-4-9-38(35,36)33-18-11-15(25)10-16(19(18)26)20-21(32-22(31-20)14-5-6-14)17-7-8-27-23(30-17)28-12-13(2)29-24(34)37-3/h7-8,10-11,13-14,33H,4-6,9,12H2,1-3H3,(H,29,34)(H,31,32)(H,27,28,30)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.890 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103718
(US8563553, 143)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(C)cc(NS(=O)(=O)C(C)C)c1)C1CC1 |r| Show InChI InChI=1S/C25H33N7O4S/c1-14(2)37(34,35)32-19-11-15(3)10-18(12-19)21-22(31-23(30-21)17-6-7-17)20-8-9-26-24(29-20)27-13-16(4)28-25(33)36-5/h8-12,14,16-17,32H,6-7,13H2,1-5H3,(H,28,33)(H,30,31)(H,26,27,29)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103672
(US8563553, 97)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)c2ccc(F)cc2)c1F)C1CC1 |r| Show InChI InChI=1S/C27H26ClF2N7O4S/c1-14(33-27(38)41-2)13-32-26-31-10-9-20(34-26)24-23(35-25(36-24)15-3-4-15)19-11-16(28)12-21(22(19)30)37-42(39,40)18-7-5-17(29)6-8-18/h5-12,14-15,37H,3-4,13H2,1-2H3,(H,33,38)(H,35,36)(H,31,32,34)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
Similars
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103709
(US8563553, 134)Show SMILES Nc1nccc(n1)-c1nc([nH]c1-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1Cl)C1CC1 Show InChI InChI=1S/C22H17ClF2N6O2S/c23-17-12(3-1-6-15(17)31-34(32,33)20-13(24)4-2-5-14(20)25)18-19(16-9-10-27-22(26)28-16)30-21(29-18)11-7-8-11/h1-6,9-11,31H,7-8H2,(H,29,30)(H2,26,27,28) | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103678
(US8563553, 103)Show SMILES CC1(CC1)c1nc(c([nH]1)-c1cccc(NS(C)(=O)=O)c1Cl)-c1ccnc(NCCC#N)n1 Show InChI InChI=1S/C21H22ClN7O2S/c1-21(8-9-21)19-27-17(13-5-3-6-14(16(13)22)29-32(2,30)31)18(28-19)15-7-12-25-20(26-15)24-11-4-10-23/h3,5-7,12,29H,4,8-9,11H2,1-2H3,(H,27,28)(H,24,25,26) | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103724
(US8563553, 149)Show SMILES CCCS(=O)(=O)Nc1cccc(c1)-c1[nH]c(nc1-c1ccnc(NC[C@H](C)NC(=O)OC)n1)C1CC1 |r| Show InChI InChI=1S/C24H31N7O4S/c1-4-12-36(33,34)31-18-7-5-6-17(13-18)20-21(30-22(29-20)16-8-9-16)19-10-11-25-23(28-19)26-14-15(2)27-24(32)35-3/h5-7,10-11,13,15-16,31H,4,8-9,12,14H2,1-3H3,(H,27,32)(H,29,30)(H,25,26,28)/t15-/m0/s1 | PDB
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US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103661
(US8563553, 86)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(C)(=O)=O)c1F)C1(C)CC1 |r| Show InChI InChI=1S/C23H27ClFN7O4S/c1-12(28-22(33)36-3)11-27-21-26-8-5-15(29-21)19-18(30-20(31-19)23(2)6-7-23)14-9-13(24)10-16(17(14)25)32-37(4,34)35/h5,8-10,12,32H,6-7,11H2,1-4H3,(H,28,33)(H,30,31)(H,26,27,29)/t12-/m0/s1 | PDB
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US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103664
(US8563553, 89)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NS(C)(=O)=O)c1Cl)C1(C)CC1 |r| Show InChI InChI=1S/C23H28ClN7O4S/c1-13(27-22(32)35-3)12-26-21-25-11-8-16(28-21)19-18(29-20(30-19)23(2)9-10-23)14-6-5-7-15(17(14)24)31-36(4,33)34/h5-8,11,13,31H,9-10,12H2,1-4H3,(H,27,32)(H,29,30)(H,25,26,28)/t13-/m0/s1 | PDB
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US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103697
(US8563553, 122)Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(=O)(=O)c2c(F)cccc2F)c1Cl)C1CC1 Show InChI InChI=1S/C23H18ClF3N6O2S/c1-28-23-29-8-7-16(30-23)20-19(31-22(32-20)11-5-6-11)13-9-12(25)10-17(18(13)24)33-36(34,35)21-14(26)3-2-4-15(21)27/h2-4,7-11,33H,5-6H2,1H3,(H,31,32)(H,28,29,30) | PDB
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US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103710
(US8563553, 135)Show SMILES Fc1cc(NS(=O)(=O)c2c(F)cccc2F)c(Cl)c(c1)-c1[nH]c(nc1-c1ccncn1)C1CC1 Show InChI InChI=1S/C22H15ClF3N5O2S/c23-18-13(19-20(16-6-7-27-10-28-16)30-22(29-19)11-4-5-11)8-12(24)9-17(18)31-34(32,33)21-14(25)2-1-3-15(21)26/h1-3,6-11,31H,4-5H2,(H,29,30) | PDB
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US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103662
(US8563553, 87)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(C)cc(NS(C)(=O)=O)c1F)C1(C)CC1 |r| Show InChI InChI=1S/C24H30FN7O4S/c1-13-10-15(18(25)17(11-13)32-37(5,34)35)19-20(31-21(30-19)24(3)7-8-24)16-6-9-26-22(29-16)27-12-14(2)28-23(33)36-4/h6,9-11,14,32H,7-8,12H2,1-5H3,(H,28,33)(H,30,31)(H,26,27,29)/t14-/m0/s1 | PDB
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US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103668
(US8563553, 93)Show SMILES CCCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(nc2-c2ccnc(NCC)n2)C2CC2)c1Cl Show InChI InChI=1S/C21H24ClFN6O2S/c1-3-9-32(30,31)29-16-11-13(23)10-14(17(16)22)18-19(28-20(27-18)12-5-6-12)15-7-8-25-21(26-15)24-4-2/h7-8,10-12,29H,3-6,9H2,1-2H3,(H,27,28)(H,24,25,26) | PDB
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US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103696
(US8563553, 121)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(C)(=O)=O)c1Cl)C1CCC1 |r| Show InChI InChI=1S/C23H27ClFN7O4S/c1-12(28-23(33)36-2)11-27-22-26-8-7-16(29-22)20-19(30-21(31-20)13-5-4-6-13)15-9-14(25)10-17(18(15)24)32-37(3,34)35/h7-10,12-13,32H,4-6,11H2,1-3H3,(H,28,33)(H,30,31)(H,26,27,29)/t12-/m0/s1 | PDB
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US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103657
(US8563553, 82)Show SMILES CCCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)(C)C)c1Cl |r| Show InChI InChI=1S/C25H33ClFN7O4S/c1-7-10-39(36,37)34-18-12-15(27)11-16(19(18)26)20-21(33-22(32-20)25(3,4)5)17-8-9-28-23(31-17)29-13-14(2)30-24(35)38-6/h8-9,11-12,14,34H,7,10,13H2,1-6H3,(H,30,35)(H,32,33)(H,28,29,31)/t14-/m0/s1 | PDB
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US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103656
(US8563553, 81)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(C)(=O)=O)c1Cl)C(C)(C)C |r| Show InChI InChI=1S/C23H29ClFN7O4S/c1-12(28-22(33)36-5)11-27-21-26-8-7-15(29-21)19-18(30-20(31-19)23(2,3)4)14-9-13(25)10-16(17(14)24)32-37(6,34)35/h7-10,12,32H,11H2,1-6H3,(H,28,33)(H,30,31)(H,26,27,29)/t12-/m0/s1 | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103719
(US8563553, 144)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NS(=O)(=O)CCC(F)(F)F)c1F)C(C)(C)C |r| Show InChI InChI=1S/C25H31F4N7O4S/c1-14(32-23(37)40-5)13-31-22-30-11-9-17(33-22)20-19(34-21(35-20)24(2,3)4)15-7-6-8-16(18(15)26)36-41(38,39)12-10-25(27,28)29/h6-9,11,14,36H,10,12-13H2,1-5H3,(H,32,37)(H,34,35)(H,30,31,33)/t14-/m0/s1 | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103651
(US8563553, 76)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(C)cc(NS(C)(=O)=O)c1Cl)C1CC1 |r| Show InChI InChI=1S/C23H28ClN7O4S/c1-12-9-15(18(24)17(10-12)31-36(4,33)34)19-20(30-21(29-19)14-5-6-14)16-7-8-25-22(28-16)26-11-13(2)27-23(32)35-3/h7-10,13-14,31H,5-6,11H2,1-4H3,(H,27,32)(H,29,30)(H,25,26,28)/t13-/m0/s1 | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103633
(US8563553, 58)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)C(C)C)c1)C(C)(C)C |r| Show InChI InChI=1S/C25H34ClN7O4S/c1-14(2)38(35,36)33-18-11-16(10-17(26)12-18)20-21(32-22(31-20)25(4,5)6)19-8-9-27-23(30-19)28-13-15(3)29-24(34)37-7/h8-12,14-15,33H,13H2,1-7H3,(H,29,34)(H,31,32)(H,27,28,30)/t15-/m0/s1 | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103701
(US8563553, 126)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(C)(=O)=O)c1Cl)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C26H24ClF4N7O4S/c1-13(34-25(39)42-2)12-33-24-32-9-8-18(35-24)22-21(17-10-16(28)11-19(20(17)27)38-43(3,40)41)36-23(37-22)14-4-6-15(7-5-14)26(29,30)31/h4-11,13,38H,12H2,1-3H3,(H,34,39)(H,36,37)(H,32,33,35)/t13-/m0/s1 | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103722
(US8563553, 147)Show SMILES CCCS(=O)(=O)Nc1cccc(-c2[nH]c(nc2-c2ccnc(NCCC(N)=O)n2)C2CC2)c1F Show InChI InChI=1S/C22H26FN7O3S/c1-2-12-34(32,33)30-15-5-3-4-14(18(15)23)19-20(29-21(28-19)13-6-7-13)16-8-10-25-22(27-16)26-11-9-17(24)31/h3-5,8,10,13,30H,2,6-7,9,11-12H2,1H3,(H2,24,31)(H,28,29)(H,25,26,27) | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103679
(US8563553, 104)Show SMILES CC(C)(C)c1nc(c([nH]1)-c1cc(Cl)cc(NS(C)(=O)=O)c1F)-c1ccnc(N)n1 Show InChI InChI=1S/C18H20ClFN6O2S/c1-18(2,3)16-24-14(15(25-16)11-5-6-22-17(21)23-11)10-7-9(19)8-12(13(10)20)26-29(4,27)28/h5-8,26H,1-4H3,(H,24,25)(H2,21,22,23) | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103640
(US8563553, 65)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(C)cc(NS(=O)(=O)C(C)C)c1)C(C)(C)C |r| Show InChI InChI=1S/C26H37N7O4S/c1-15(2)38(35,36)33-19-12-16(3)11-18(13-19)21-22(32-23(31-21)26(5,6)7)20-9-10-27-24(30-20)28-14-17(4)29-25(34)37-8/h9-13,15,17,33H,14H2,1-8H3,(H,29,34)(H,31,32)(H,27,28,30)/t17-/m0/s1 | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103682
(US8563553, 107)Show SMILES CS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(nc2-c2ccnc(N)n2)C2CC2)c1F Show InChI InChI=1S/C17H16ClFN6O2S/c1-28(26,27)25-12-7-9(18)6-10(13(12)19)14-15(11-4-5-21-17(20)22-11)24-16(23-14)8-2-3-8/h4-8,25H,2-3H2,1H3,(H,23,24)(H2,20,21,22) | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103706
(US8563553, 131)Show SMILES CS(=O)(=O)Nc1cccc(-c2[nH]c(nc2-c2ccnc(NCCC#N)n2)C2CC2)c1F Show InChI InChI=1S/C20H20FN7O2S/c1-31(29,30)28-14-5-2-4-13(16(14)21)17-18(27-19(26-17)12-6-7-12)15-8-11-24-20(25-15)23-10-3-9-22/h2,4-5,8,11-12,28H,3,6-7,10H2,1H3,(H,26,27)(H,23,24,25) | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103712
(US8563553, 137)Show SMILES CCCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(nc2-c2ccncn2)C2CC2)c1Cl Show InChI InChI=1S/C19H19ClFN5O2S/c1-2-7-29(27,28)26-15-9-12(21)8-13(16(15)20)17-18(14-5-6-22-10-23-14)25-19(24-17)11-3-4-11/h5-6,8-11,26H,2-4,7H2,1H3,(H,24,25) | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103665
(US8563553, 90)Show SMILES CCCNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(C)(=O)=O)c1Cl)C1CC1 Show InChI InChI=1S/C20H22ClFN6O2S/c1-3-7-23-20-24-8-6-14(25-20)18-17(26-19(27-18)11-4-5-11)13-9-12(22)10-15(16(13)21)28-31(2,29)30/h6,8-11,28H,3-5,7H2,1-2H3,(H,26,27)(H,23,24,25) | PDB
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US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103707
(US8563553, 132)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1c(F)ccc(NS(C)(=O)=O)c1Cl)C1CC1 |r,wD:5.5,(9.34,-1.06,;8.01,-1.83,;6.67,-1.06,;6.67,.48,;5.34,-1.83,;4.01,-1.06,;4.01,.48,;2.67,-1.83,;1.34,-1.06,;.01,-1.83,;.01,-3.37,;-1.33,-4.14,;-2.66,-3.37,;-2.66,-1.83,;-1.33,-1.06,;-4,-1.06,;-5.46,-1.54,;-6.37,-.29,;-5.46,.95,;-4,.48,;-2.91,1.57,;-3.31,3.05,;-4.79,3.45,;-2.22,4.14,;-.73,3.74,;-.33,2.26,;1.16,1.86,;2.25,2.95,;3.33,4.04,;1.16,4.04,;3.33,1.86,;-1.42,1.17,;-1.02,-.32,;-7.85,-.69,;-9.34,-.29,;-8.94,-1.78,)| Show InChI InChI=1S/C22H25ClFN7O4S/c1-11(27-22(32)35-2)10-26-21-25-9-8-15(28-21)18-19(30-20(29-18)12-4-5-12)16-13(24)6-7-14(17(16)23)31-36(3,33)34/h6-9,11-12,31H,4-5,10H2,1-3H3,(H,27,32)(H,29,30)(H,25,26,28)/t11-/m0/s1 | PDB
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US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103670
(US8563553, 95)Show SMILES CCCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(nc2-c2ccnc(NC(C)C)n2)C2CC2)c1Cl Show InChI InChI=1S/C22H26ClFN6O2S/c1-4-9-33(31,32)30-17-11-14(24)10-15(18(17)23)19-20(29-21(28-19)13-5-6-13)16-7-8-25-22(27-16)26-12(2)3/h7-8,10-13,30H,4-6,9H2,1-3H3,(H,28,29)(H,25,26,27) | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103667
(US8563553, 92)Show SMILES CC(C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(C)(=O)=O)c1Cl)C1CC1 Show InChI InChI=1S/C21H24ClFN6O2S/c1-11(2)10-25-21-24-7-6-15(26-21)19-18(27-20(28-19)12-4-5-12)14-8-13(23)9-16(17(14)22)29-32(3,30)31/h6-9,11-12,29H,4-5,10H2,1-3H3,(H,27,28)(H,24,25,26) | PDB
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US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103685
(US8563553, 110)Show SMILES CC(C)(C)c1nc(c([nH]1)-c1cc(F)cc(NS(C)(=O)=O)c1Cl)-c1ccnc(N)n1 Show InChI InChI=1S/C18H20ClFN6O2S/c1-18(2,3)16-24-14(15(25-16)11-5-6-22-17(21)23-11)10-7-9(20)8-12(13(10)19)26-29(4,27)28/h5-8,26H,1-4H3,(H,24,25)(H2,21,22,23) | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103689
(US8563553, 114)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1F)C1CC1 |r| Show InChI InChI=1S/C28H26ClF4N7O4S/c1-14(36-27(41)44-2)13-35-26-34-10-9-20(37-26)24-23(38-25(39-24)15-3-4-15)19-11-17(29)12-21(22(19)30)40-45(42,43)18-7-5-16(6-8-18)28(31,32)33/h5-12,14-15,40H,3-4,13H2,1-2H3,(H,36,41)(H,38,39)(H,34,35,37)/t14-/m0/s1 | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103725
(US8563553, 150)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NS(C)(=O)=O)c1)C1CC1 |r| Show InChI InChI=1S/C22H27N7O4S/c1-13(25-22(30)33-2)12-24-21-23-10-9-17(26-21)19-18(27-20(28-19)14-7-8-14)15-5-4-6-16(11-15)29-34(3,31)32/h4-6,9-11,13-14,29H,7-8,12H2,1-3H3,(H,25,30)(H,27,28)(H,23,24,26)/t13-/m0/s1 | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103660
(US8563553, 85)Show SMILES CC(CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NS(C)(=O)=O)c1Cl)C1CC1)C#N Show InChI InChI=1S/C21H22ClN7O2S/c1-12(10-23)11-25-21-24-9-8-16(26-21)19-18(27-20(28-19)13-6-7-13)14-4-3-5-15(17(14)22)29-32(2,30)31/h3-5,8-9,12-13,29H,6-7,11H2,1-2H3,(H,27,28)(H,24,25,26) | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103666
(US8563553, 91)Show SMILES CCNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(C)(=O)=O)c1Cl)C1CC1 Show InChI InChI=1S/C19H20ClFN6O2S/c1-3-22-19-23-7-6-13(24-19)17-16(25-18(26-17)10-4-5-10)12-8-11(21)9-14(15(12)20)27-30(2,28)29/h6-10,27H,3-5H2,1-2H3,(H,25,26)(H,22,23,24) | PDB
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US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103671
(US8563553, 96)Show SMILES COC(=O)N[C@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(C)(=O)=O)c1Cl)C1CC1 |r| Show InChI InChI=1S/C22H25ClFN7O4S/c1-11(27-22(32)35-2)10-26-21-25-7-6-15(28-21)19-18(29-20(30-19)12-4-5-12)14-8-13(24)9-16(17(14)23)31-36(3,33)34/h6-9,11-12,31H,4-5,10H2,1-3H3,(H,27,32)(H,29,30)(H,25,26,28)/t11-/m1/s1 | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103639
(US8563553, 64)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(NS(=O)(=O)C(C)C)cc(OC(F)F)c1)C(C)(C)C |r| Show InChI InChI=1S/C26H35F2N7O5S/c1-14(2)41(37,38)35-17-10-16(11-18(12-17)40-23(27)28)20-21(34-22(33-20)26(4,5)6)19-8-9-29-24(32-19)30-13-15(3)31-25(36)39-7/h8-12,14-15,23,35H,13H2,1-7H3,(H,31,36)(H,33,34)(H,29,30,32)/t15-/m0/s1 | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103692
(US8563553, 117)Show SMILES CS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(nc2-c2ccnc(N)n2)C2CC2)c1Cl Show InChI InChI=1S/C17H16ClFN6O2S/c1-28(26,27)25-12-7-9(19)6-10(13(12)18)14-15(11-4-5-21-17(20)22-11)24-16(23-14)8-2-3-8/h4-8,25H,2-3H2,1H3,(H,23,24)(H2,20,21,22) | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103669
(US8563553, 94)Show SMILES CC(C)Nc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(C)(=O)=O)c1Cl)C1CC1 Show InChI InChI=1S/C20H22ClFN6O2S/c1-10(2)24-20-23-7-6-14(25-20)18-17(26-19(27-18)11-4-5-11)13-8-12(22)9-15(16(13)21)28-31(3,29)30/h6-11,28H,4-5H2,1-3H3,(H,26,27)(H,23,24,25) | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103714
(US8563553, 139)Show SMILES C[C@H](O)CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NS(C)(=O)=O)c1F)C1CC1 |r| Show InChI InChI=1S/C20H23FN6O3S/c1-11(28)10-23-20-22-9-8-15(24-20)18-17(25-19(26-18)12-6-7-12)13-4-3-5-14(16(13)21)27-31(2,29)30/h3-5,8-9,11-12,27-28H,6-7,10H2,1-2H3,(H,25,26)(H,22,23,24)/t11-/m0/s1 | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103698
(US8563553, 123)Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(C)(=O)=O)c1Cl)C1CC1 Show InChI InChI=1S/C18H18ClFN6O2S/c1-21-18-22-6-5-12(23-18)16-15(24-17(25-16)9-3-4-9)11-7-10(20)8-13(14(11)19)26-29(2,27)28/h5-9,26H,3-4H2,1-2H3,(H,24,25)(H,21,22,23) | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103641
(US8563553, 66)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NS(C)(=O)=O)c1)C(C)(C)C |r| Show InChI InChI=1S/C23H31N7O4S/c1-14(26-22(31)34-5)13-25-21-24-11-10-17(27-21)19-18(28-20(29-19)23(2,3)4)15-8-7-9-16(12-15)30-35(6,32)33/h7-12,14,30H,13H2,1-6H3,(H,26,31)(H,28,29)(H,24,25,27)/t14-/m0/s1 | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103708
(US8563553, 133)Show SMILES CS(=O)(=O)Nc1cccc(-c2[nH]c(nc2-c2ccnc(NCC3(CC3)C#N)n2)C2CC2)c1Cl Show InChI InChI=1S/C22H22ClN7O2S/c1-33(31,32)30-15-4-2-3-14(17(15)23)18-19(29-20(28-18)13-5-6-13)16-7-10-25-21(27-16)26-12-22(11-24)8-9-22/h2-4,7,10,13,30H,5-6,8-9,12H2,1H3,(H,28,29)(H,25,26,27) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103687
(US8563553, 112)Show SMILES CC(C)(C)c1nc(c([nH]1)-c1cccc(NS(C)(=O)=O)c1Cl)-c1ccnc(N)n1 Show InChI InChI=1S/C18H21ClN6O2S/c1-18(2,3)16-23-14(15(24-16)12-8-9-21-17(20)22-12)10-6-5-7-11(13(10)19)25-28(4,26)27/h5-9,25H,1-4H3,(H,23,24)(H2,20,21,22) | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103638
(US8563553, 63)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)C(C)C)c1C)C(C)(C)C |r| Show InChI InChI=1S/C26H36ClN7O4S/c1-14(2)39(36,37)34-20-12-17(27)11-18(16(20)4)21-22(33-23(32-21)26(5,6)7)19-9-10-28-24(31-19)29-13-15(3)30-25(35)38-8/h9-12,14-15,34H,13H2,1-8H3,(H,30,35)(H,32,33)(H,28,29,31)/t15-/m0/s1 | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103711
(US8563553, 136)Show SMILES CS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(nc2-c2ccncn2)C2CC2)c1Cl Show InChI InChI=1S/C17H15ClFN5O2S/c1-27(25,26)24-13-7-10(19)6-11(14(13)18)15-16(12-4-5-20-8-21-12)23-17(22-15)9-2-3-9/h4-9,24H,2-3H2,1H3,(H,22,23) | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103635
(US8563553, 60)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(NS(=O)(=O)C2CC2)c(C)c(OC)c1)C(C)(C)C |r| Show InChI InChI=1S/C27H37N7O5S/c1-15(30-26(35)39-7)14-29-25-28-11-10-19(31-25)23-22(32-24(33-23)27(3,4)5)17-12-20(16(2)21(13-17)38-6)34-40(36,37)18-8-9-18/h10-13,15,18,34H,8-9,14H2,1-7H3,(H,30,35)(H,32,33)(H,28,29,31)/t15-/m0/s1 | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103634
(US8563553, 59)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(NS(=O)(=O)C(C)C)c(C)c(OC)c1)C(C)(C)C |r| Show InChI InChI=1S/C27H39N7O5S/c1-15(2)40(36,37)34-20-12-18(13-21(38-8)17(20)4)22-23(33-24(32-22)27(5,6)7)19-10-11-28-25(31-19)29-14-16(3)30-26(35)39-9/h10-13,15-16,34H,14H2,1-9H3,(H,30,35)(H,32,33)(H,28,29,31)/t16-/m0/s1 | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103637
(US8563553, 62)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)C2CC2)c1C)C(C)(C)C |r| Show InChI InChI=1S/C26H34ClN7O4S/c1-14(30-25(35)38-6)13-29-24-28-10-9-19(31-24)22-21(32-23(33-22)26(3,4)5)18-11-16(27)12-20(15(18)2)34-39(36,37)17-7-8-17/h9-12,14,17,34H,7-8,13H2,1-6H3,(H,30,35)(H,32,33)(H,28,29,31)/t14-/m0/s1 | PDB
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Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103627
(US8563553, 52)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(=O)(=O)C(F)(F)F)c1)C(C)(C)C |r| Show InChI InChI=1S/C23H27ClF3N7O4S/c1-12(30-21(35)38-5)11-29-20-28-7-6-16(31-20)18-17(32-19(33-18)22(2,3)4)13-8-14(24)10-15(9-13)34-39(36,37)23(25,26)27/h6-10,12,34H,11H2,1-5H3,(H,30,35)(H,32,33)(H,28,29,31)/t12-/m0/s1 | PDB
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| n/a | n/a | 235 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103713
(US8563553, 138)Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NS(C)(=O)=O)c1F)C1CC1 Show InChI InChI=1S/C18H19FN6O2S/c1-20-18-21-9-8-13(22-18)16-15(23-17(24-16)10-6-7-10)11-4-3-5-12(14(11)19)25-28(2,26)27/h3-5,8-10,25H,6-7H2,1-2H3,(H,23,24)(H,20,21,22) | PDB
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| n/a | n/a | 578 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf [V600E]
(Homo sapiens (Human)) | BDBM103700
(US8563553, 125)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(C)(=O)=O)c1Cl)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C25H23ClF3N7O4S/c1-12(32-25(37)40-2)11-31-24-30-7-6-18(33-24)22-21(34-23(35-22)15-5-4-13(27)9-17(15)29)16-8-14(28)10-19(20(16)26)36-41(3,38)39/h4-10,12,36H,11H2,1-3H3,(H,32,37)(H,34,35)(H,30,31,33)/t12-/m0/s1 | PDB
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| n/a | n/a | 2.04E+3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Novartis AG; IRM LLC
US Patent
| Assay Description
Raf/Mek amplified luminescence proximity homogeneous assay. |
US Patent US8563553 (2013)
BindingDB Entry DOI: 10.7270/Q2ZP44R7 |
More data for this
Ligand-Target Pair | |
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