Compile Data Set for Download or QSAR

Found 957 hits with Last Name = 'mantoulidis' and Initial = 'a'   

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
GTPase KRas (Homo sapiens (Human))	BDBM50607576 (CHEMBL5218642) Show SMILES C[C@H]1CN(C)CCN1c1cc(cc(n1)-c1noc(n1)[C@@]1(C)CCCc2sc(N)c(C#N)c12)N1CCN(CC1)C(=O)C=C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50607575 (CHEMBL5221087) Show SMILES C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1cccc(c1)N1CCN(CC1)C(=O)C=C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50607574 (CHEMBL5218841) Show SMILES C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1cccc(NC(=O)C=C)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50514402 (CHEMBL4535757 | US11345701, Compound Amg-510) Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(31.19,-31.19,;32.52,-31.96,;32.53,-33.49,;33.85,-31.18,;35.18,-31.95,;36.51,-31.17,;36.5,-29.62,;35.16,-28.87,;35.15,-27.33,;33.84,-29.64,;32.51,-28.88,;32.5,-27.35,;33.85,-26.57,;33.84,-25.02,;32.5,-24.25,;32.5,-22.71,;31.17,-25.02,;31.17,-26.57,;29.84,-27.34,;29.84,-28.87,;31.17,-29.64,;29.83,-30.4,;28.51,-26.56,;28.52,-25.02,;27.2,-24.24,;25.86,-25,;25.85,-26.54,;27.19,-27.33,;27.18,-28.87,;24.53,-24.22,;24.54,-22.68,;23.19,-24.98,;21.85,-24.2,;35.17,-24.24,;36.51,-25.01,;36.51,-26.55,;37.84,-24.24,;37.84,-22.69,;36.49,-21.92,;35.16,-22.71,;33.82,-21.94,)| Show InChI InChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50607573 (CHEMBL5219918) Show SMILES C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1ccc(NC(=O)C=C)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.41E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117469 (US8653087, III-149) Show SMILES CN(C)CCOc1cc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N3CCOCC3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H31F3N8O3/c1-18-4-5-19(27(41)36-21-13-20(29(30,31)32)14-22(15-21)43-11-6-39(2)3)12-23(18)37-26-25-24(34-17-35-26)16-33-28(38-25)40-7-9-42-10-8-40/h4-5,12-17H,6-11H2,1-3H3,(H,36,41)(H,34,35,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117471 (US8653087, III-151) Show SMILES COCCNc1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cc(OCCN(C)C)cc(c3)C(F)(F)F)c2n1 Show InChI InChI=1S/C28H31F3N8O3/c1-17-5-6-18(26(40)36-20-12-19(28(29,30)31)13-21(14-20)42-10-8-39(2)3)11-22(17)37-25-24-23(34-16-35-25)15-33-27(38-24)32-7-9-41-4/h5-6,11-16H,7-10H2,1-4H3,(H,36,40)(H,32,33,38)(H,34,35,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117476 (US8653087, III-156) Show SMILES CNc1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cc(OCCN(C)C)cc(c3)C(F)(F)F)c2n1 Show InChI InChI=1S/C26H27F3N8O2/c1-15-5-6-16(9-20(15)35-23-22-21(32-14-33-23)13-31-25(30-2)36-22)24(38)34-18-10-17(26(27,28)29)11-19(12-18)39-8-7-37(3)4/h5-6,9-14H,7-8H2,1-4H3,(H,34,38)(H,30,31,36)(H,32,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117489 (US8653087, III-169) Show SMILES COCCNc1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cc(cc(c3)C(F)(F)F)N(C)CCN(C)C)c2n1 Show InChI InChI=1S/C29H34F3N9O2/c1-18-6-7-19(12-23(18)38-26-25-24(35-17-36-26)16-34-28(39-25)33-8-11-43-5)27(42)37-21-13-20(29(30,31)32)14-22(15-21)41(4)10-9-40(2)3/h6-7,12-17H,8-11H2,1-5H3,(H,37,42)(H,33,34,39)(H,35,36,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117395 (US8653087, III-75) Show SMILES CC(C)(C)c1cc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(nc34)N3CCOCC3)c2)no1 Show InChI InChI=1S/C24H25ClN8O3/c1-24(2,3)18-11-19(32-36-18)30-22(34)14-4-5-15(25)16(10-14)29-21-20-17(27-13-28-21)12-26-23(31-20)33-6-8-35-9-7-33/h4-5,10-13H,6-9H2,1-3H3,(H,27,28,29)(H,30,32,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117563 (US8653087, III-243) Show SMILES CN(C)c1cccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N3CC[C@@H](F)C3)c2)c1 |r| Show InChI InChI=1S/C26H27FN8O/c1-16-7-8-17(25(36)31-19-5-4-6-20(12-19)34(2)3)11-21(16)32-24-23-22(29-15-30-24)13-28-26(33-23)35-10-9-18(27)14-35/h4-8,11-13,15,18H,9-10,14H2,1-3H3,(H,31,36)(H,29,30,32)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117607 (US8653087, III-287) Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CC[C@H](F)C1)C(=O)Nc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H21F4N7O/c1-14-5-6-15(23(37)33-18-4-2-3-16(10-18)25(27,28)29)9-19(14)34-22-21-20(31-13-32-22)11-30-24(35-21)36-8-7-17(26)12-36/h2-6,9-11,13,17H,7-8,12H2,1H3,(H,33,37)(H,31,32,34)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117610 (US8653087, III-290) Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CC[C@H](F)C1)C(=O)Nc1cccc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C25H21F4N7O2/c1-14-5-6-15(23(37)33-17-3-2-4-18(10-17)38-25(27,28)29)9-19(14)34-22-21-20(31-13-32-22)11-30-24(35-21)36-8-7-16(26)12-36/h2-6,9-11,13,16H,7-8,12H2,1H3,(H,33,37)(H,31,32,34)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117617 (US8653087, III-297) Show SMILES CN1CCN(CC1)c1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3ccc(F)c(c3)C(F)(F)F)c2n1 Show InChI InChI=1S/C26H24F4N8O/c1-15-3-4-16(24(39)34-17-5-6-19(27)18(12-17)26(28,29)30)11-20(15)35-23-22-21(32-14-33-23)13-31-25(36-22)38-9-7-37(2)8-10-38/h3-6,11-14H,7-10H2,1-2H3,(H,34,39)(H,32,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117669 (US8653087, III-349) Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(NC3CCOC3)nc12)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H22F3N7O2/c1-14-5-6-15(23(36)32-17-4-2-3-16(10-17)25(26,27)28)9-19(14)34-22-21-20(30-13-31-22)11-29-24(35-21)33-18-7-8-37-12-18/h2-6,9-11,13,18H,7-8,12H2,1H3,(H,32,36)(H,29,33,35)(H,30,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117671 (US8653087, III-351) Show SMILES CCN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C31H34F3N9O2/c1-3-42-7-9-43(10-8-42)24-14-21(31(32,33)34)13-23(15-24)38-29(44)20-5-4-19(2)25(12-20)40-28-27-26(36-18-37-28)16-35-30(41-27)39-22-6-11-45-17-22/h4-5,12-16,18,22H,3,6-11,17H2,1-2H3,(H,38,44)(H,35,39,41)(H,36,37,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117675 (US8653087, III-355) Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(NC3CCOC3)nc12)C(=O)Nc1cc(ccn1)C(F)(F)F Show InChI InChI=1S/C24H21F3N8O2/c1-13-2-3-14(22(36)34-19-9-15(4-6-28-19)24(25,26)27)8-17(13)33-21-20-18(30-12-31-21)10-29-23(35-20)32-16-5-7-37-11-16/h2-4,6,8-10,12,16H,5,7,11H2,1H3,(H,28,34,36)(H,29,32,35)(H,30,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117677 (US8653087, III-357 | US8653087, III-364) Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(NC3CCOC3)nc12)C(=O)Nc1cc(on1)C(C)(C)C Show InChI InChI=1S/C25H28N8O3/c1-14-5-6-15(23(34)31-20-10-19(36-33-20)25(2,3)4)9-17(14)30-22-21-18(27-13-28-22)11-26-24(32-21)29-16-7-8-35-12-16/h5-6,9-11,13,16H,7-8,12H2,1-4H3,(H,26,29,32)(H,27,28,30)(H,31,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117677 (US8653087, III-357 | US8653087, III-364) Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(NC3CCOC3)nc12)C(=O)Nc1cc(on1)C(C)(C)C Show InChI InChI=1S/C25H28N8O3/c1-14-5-6-15(23(34)31-20-10-19(36-33-20)25(2,3)4)9-17(14)30-22-21-18(27-13-28-22)11-26-24(32-21)29-16-7-8-35-12-16/h5-6,9-11,13,16H,7-8,12H2,1-4H3,(H,26,29,32)(H,27,28,30)(H,31,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117708 (US8653087, III-388) Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H29F4N9O2/c1-41-5-7-42(8-6-41)21-12-18(29(31,32)33)11-20(13-21)37-27(43)17-2-3-22(30)23(10-17)39-26-25-24(35-16-36-26)14-34-28(40-25)38-19-4-9-44-15-19/h2-3,10-14,16,19H,4-9,15H2,1H3,(H,37,43)(H,34,38,40)(H,35,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117710 (US8653087, III-390) Show SMILES COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C25H21F4N7O3/c1-38-20-5-3-14(9-16(20)25(27,28)29)33-23(37)13-2-4-17(26)18(8-13)35-22-21-19(31-12-32-22)10-30-24(36-21)34-15-6-7-39-11-15/h2-5,8-10,12,15H,6-7,11H2,1H3,(H,33,37)(H,30,34,36)(H,31,32,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117713 (US8653087, III-393) Show SMILES Fc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCOCC1)C(=O)Nc1cc(ccn1)C(F)(F)F Show InChI InChI=1S/C23H18F4N8O2/c24-15-2-1-13(21(36)33-18-10-14(3-4-28-18)23(25,26)27)9-16(15)32-20-19-17(30-12-31-20)11-29-22(34-19)35-5-7-37-8-6-35/h1-4,9-12H,5-8H2,(H,28,33,36)(H,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117730 (US8653087, III-410) Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCOCC1)C(=O)Nc1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C25H22F3N7O3/c1-15-5-6-16(23(36)32-17-3-2-4-18(12-17)38-25(26,27)28)11-19(15)33-22-21-20(30-14-31-22)13-29-24(34-21)35-7-9-37-10-8-35/h2-6,11-14H,7-10H2,1H3,(H,32,36)(H,30,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117736 (US8653087, III-416) Show SMILES CN1CCC(CN2CCN(CC2)c2ncc3ncnc(Nc4cc(ccc4C)C(=O)Nc4cccc(c4)C(C)(C)C)c3n2)CC1 Show InChI InChI=1S/C35H45N9O/c1-24-9-10-26(33(45)39-28-8-6-7-27(20-28)35(2,3)4)19-29(24)40-32-31-30(37-23-38-32)21-36-34(41-31)44-17-15-43(16-18-44)22-25-11-13-42(5)14-12-25/h6-10,19-21,23,25H,11-18,22H2,1-5H3,(H,39,45)(H,37,38,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117739 (US8653087, III-419 | US8653087, III-562) Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N3CCN(CC4CCN(C)CC4)CC3)c2)cc1C(F)(F)F Show InChI InChI=1S/C33H38F3N9O2/c1-21-4-5-23(31(46)40-24-6-7-28(47-3)25(17-24)33(34,35)36)16-26(21)41-30-29-27(38-20-39-30)18-37-32(42-29)45-14-12-44(13-15-45)19-22-8-10-43(2)11-9-22/h4-7,16-18,20,22H,8-15,19H2,1-3H3,(H,40,46)(H,38,39,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117746 (US8653087, III-426) Show SMILES COCCN1CCN(CC1)c1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cc(ccn3)C(F)(F)F)c2n1 Show InChI InChI=1S/C27H28F3N9O2/c1-17-3-4-18(25(40)36-22-14-19(5-6-31-22)27(28,29)30)13-20(17)35-24-23-21(33-16-34-24)15-32-26(37-23)39-9-7-38(8-10-39)11-12-41-2/h3-6,13-16H,7-12H2,1-2H3,(H,31,36,40)(H,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117706 (US8653087, III-386) Show SMILES CC(C)(C#N)c1cccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)c1 Show InChI InChI=1S/C27H25FN8O2/c1-27(2,14-29)17-4-3-5-18(11-17)33-25(37)16-6-7-20(28)21(10-16)35-24-23-22(31-15-32-24)12-30-26(36-23)34-19-8-9-38-13-19/h3-7,10-12,15,19H,8-9,13H2,1-2H3,(H,33,37)(H,30,34,36)(H,31,32,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117709 (US8653087, III-389) Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)cc(c1F)C(F)(F)F Show InChI InChI=1S/C29H28F5N9O2/c1-42-5-7-43(8-6-42)23-12-18(11-19(24(23)31)29(32,33)34)38-27(44)16-2-3-20(30)21(10-16)40-26-25-22(36-15-37-26)13-35-28(41-25)39-17-4-9-45-14-17/h2-3,10-13,15,17H,4-9,14H2,1H3,(H,38,44)(H,35,39,41)(H,36,37,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117711 (US8653087, III-391) Show SMILES CC(C)(C)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(nc34)N3CCOCC3)c2)[nH]n1 Show InChI InChI=1S/C24H26FN9O2/c1-24(2,3)18-11-19(33-32-18)30-22(35)14-4-5-15(25)16(10-14)29-21-20-17(27-13-28-21)12-26-23(31-20)34-6-8-36-9-7-34/h4-5,10-13H,6-9H2,1-3H3,(H,27,28,29)(H2,30,32,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117714 (US8653087, III-394) Show SMILES CN1CCC(CN2CCN(CC2)c2ncc3ncnc(Nc4cc(ccc4F)C(=O)Nc4cc(on4)C(C)(C)C)c3n2)CC1 Show InChI InChI=1S/C31H39FN10O2/c1-31(2,3)25-16-26(39-44-25)37-29(43)21-5-6-22(32)23(15-21)36-28-27-24(34-19-35-28)17-33-30(38-27)42-13-11-41(12-14-42)18-20-7-9-40(4)10-8-20/h5-6,15-17,19-20H,7-14,18H2,1-4H3,(H,34,35,36)(H,37,39,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117718 (US8653087, III-398) Show SMILES CCN1CCN(CC1)c1ncc2ncnc(Nc3cc(ccc3F)C(=O)Nc3cc(on3)C(C)(C)C)c2n1 Show InChI InChI=1S/C26H30FN9O2/c1-5-35-8-10-36(11-9-35)25-28-14-19-22(33-25)23(30-15-29-19)31-18-12-16(6-7-17(18)27)24(37)32-21-13-20(38-34-21)26(2,3)4/h6-7,12-15H,5,8-11H2,1-4H3,(H,29,30,31)(H,32,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117733 (US8653087, III-413) Show SMILES COc1ccc(cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(nc23)N2CCN(CC3CCN(C)CC3)CC2)c1)C(F)(F)F Show InChI InChI=1S/C33H38F3N9O2/c1-21-4-5-23(31(46)41-26-17-24(33(34,35)36)6-7-28(26)47-3)16-25(21)40-30-29-27(38-20-39-30)18-37-32(42-29)45-14-12-44(13-15-45)19-22-8-10-43(2)11-9-22/h4-7,16-18,20,22H,8-15,19H2,1-3H3,(H,41,46)(H,38,39,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117737 (US8653087, III-417) Show SMILES CN1CCC(CN2CCN(CC2)c2ncc3ncnc(Nc4cc(ccc4C)C(=O)Nc4cccc(c4)C(F)(F)F)c3n2)CC1 Show InChI InChI=1S/C32H36F3N9O/c1-21-6-7-23(30(45)39-25-5-3-4-24(17-25)32(33,34)35)16-26(21)40-29-28-27(37-20-38-29)18-36-31(41-28)44-14-12-43(13-15-44)19-22-8-10-42(2)11-9-22/h3-7,16-18,20,22H,8-15,19H2,1-2H3,(H,39,45)(H,37,38,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117740 (US8653087, III-420) Show SMILES CN1CCC(CN2CCN(CC2)c2ncc3ncnc(Nc4cc(ccc4C)C(=O)Nc4cc(on4)C(C)(C)C)c3n2)CC1 Show InChI InChI=1S/C32H42N10O2/c1-21-6-7-23(30(43)37-27-17-26(44-39-27)32(2,3)4)16-24(21)36-29-28-25(34-20-35-29)18-33-31(38-28)42-14-12-41(13-15-42)19-22-8-10-40(5)11-9-22/h6-7,16-18,20,22H,8-15,19H2,1-5H3,(H,34,35,36)(H,37,39,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117743 (US8653087, III-423) Show SMILES COCCN1CCN(CC1)c1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)c2n1 Show InChI InChI=1S/C28H29F3N8O2/c1-18-6-7-19(26(40)35-21-5-3-4-20(15-21)28(29,30)31)14-22(18)36-25-24-23(33-17-34-25)16-32-27(37-24)39-10-8-38(9-11-39)12-13-41-2/h3-7,14-17H,8-13H2,1-2H3,(H,35,40)(H,33,34,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117748 (US8653087, III-428) Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(NCc3ccccc3)nc12)C(=O)Nc1cccc(c1)C(C)(C)C Show InChI InChI=1S/C31H31N7O/c1-20-13-14-22(29(39)36-24-12-8-11-23(16-24)31(2,3)4)15-25(20)37-28-27-26(34-19-35-28)18-33-30(38-27)32-17-21-9-6-5-7-10-21/h5-16,18-19H,17H2,1-4H3,(H,36,39)(H,32,33,38)(H,34,35,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM212404 (US9290507, II-17) Show SMILES COCCCN1CCN(CC1)c1cncc(c1)-c1cn(nn1)-c1cc(NC(=O)c2ccc(o2)C(C)(C)C)ccc1C Show InChI InChI=1S/C31H39N7O3/c1-22-7-8-24(33-30(39)28-9-10-29(41-28)31(2,3)4)18-27(22)38-21-26(34-35-38)23-17-25(20-32-19-23)37-14-12-36(13-15-37)11-6-16-40-5/h7-10,17-21H,6,11-16H2,1-5H3,(H,33,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a dilution series 10 uL/well of test substance solution are placed in a multiwell plate. The dilution series is selected so that generally a range...				US Patent US9290507 (2016) BindingDB Entry DOI: 10.7270/Q2PK0F1H
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM212408 (US9290507, II-21) Show SMILES Cc1ccc(NC(=O)c2ccc(o2)C(C)(C)C)cc1-n1cc(nn1)-c1cncc(c1)N1CCNCC1 Show InChI InChI=1S/C27H31N7O2/c1-18-5-6-20(30-26(35)24-7-8-25(36-24)27(2,3)4)14-23(18)34-17-22(31-32-34)19-13-21(16-29-15-19)33-11-9-28-10-12-33/h5-8,13-17,28H,9-12H2,1-4H3,(H,30,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a dilution series 10 uL/well of test substance solution are placed in a multiwell plate. The dilution series is selected so that generally a range...				US Patent US9290507 (2016) BindingDB Entry DOI: 10.7270/Q2PK0F1H
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117801 (US8653087, III-481) Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCN(CCCN2CCCC2)CC1)C(=O)Nc1cc(on1)C(C)(C)C Show InChI InChI=1S/C32H42N10O2/c1-22-8-9-23(30(43)37-27-19-26(44-39-27)32(2,3)4)18-24(22)36-29-28-25(34-21-35-29)20-33-31(38-28)42-16-14-41(15-17-42)13-7-12-40-10-5-6-11-40/h8-9,18-21H,5-7,10-17H2,1-4H3,(H,34,35,36)(H,37,39,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117809 (US8653087, III-489) Show SMILES Cc1ccc(cc1Nc1ncnc2cnc(nc12)N1CCC(CC1)N1CCOCC1)C(=O)Nc1cc(on1)C(C)(C)C Show InChI InChI=1S/C30H37N9O3/c1-19-5-6-20(28(40)35-25-16-24(42-37-25)30(2,3)4)15-22(19)34-27-26-23(32-18-33-27)17-31-29(36-26)39-9-7-21(8-10-39)38-11-13-41-14-12-38/h5-6,15-18,21H,7-14H2,1-4H3,(H,32,33,34)(H,35,37,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117820 (US8653087, III-500) Show SMILES CC(C)CNc1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(C)(C)C)c2n1 Show InChI InChI=1S/C28H33N7O/c1-17(2)14-29-27-30-15-23-24(35-27)25(32-16-31-23)34-22-12-19(11-10-18(22)3)26(36)33-21-9-7-8-20(13-21)28(4,5)6/h7-13,15-17H,14H2,1-6H3,(H,33,36)(H,29,30,35)(H,31,32,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117827 (US8653087, III-507) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(NC5CCOC5)nc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H26F3N9O2/c1-16-3-4-18(27(42)37-21-8-19(29(30,31)32)9-22(10-21)41-12-17(2)36-15-41)7-23(16)39-26-25-24(34-14-35-26)11-33-28(40-25)38-20-5-6-43-13-20/h3-4,7-12,14-15,20H,5-6,13H2,1-2H3,(H,37,42)(H,33,38,40)(H,34,35,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117830 (US8653087, III-510) Show SMILES CN1CCC(CN2CCN(CC2)c2ncc3ncnc(Nc4cc(ccc4C)C(=O)Nc4cc(ccn4)C(F)(F)F)c3n2)CC1 Show InChI InChI=1S/C31H35F3N10O/c1-20-3-4-22(29(45)40-26-16-23(5-8-35-26)31(32,33)34)15-24(20)39-28-27-25(37-19-38-28)17-36-30(41-27)44-13-11-43(12-14-44)18-21-6-9-42(2)10-7-21/h3-5,8,15-17,19,21H,6-7,9-14,18H2,1-2H3,(H,35,40,45)(H,37,38,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117834 (US8653087, III-514) Show SMILES CN(CCF)c1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cc(cc(c3)C(F)(F)F)N3CCCN(C)CC3)c2n1 Show InChI InChI=1S/C30H33F4N9O/c1-19-5-6-20(13-24(19)39-27-26-25(36-18-37-27)17-35-29(40-26)42(3)10-7-31)28(44)38-22-14-21(30(32,33)34)15-23(16-22)43-9-4-8-41(2)11-12-43/h5-6,13-18H,4,7-12H2,1-3H3,(H,38,44)(H,36,37,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117839 (US8653087, III-519) Show SMILES CC(C)CNc1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cc(ccn3)C(F)(F)F)c2n1 Show InChI InChI=1S/C24H23F3N8O/c1-13(2)10-29-23-30-11-18-20(35-23)21(32-12-31-18)33-17-8-15(5-4-14(17)3)22(36)34-19-9-16(6-7-28-19)24(25,26)27/h4-9,11-13H,10H2,1-3H3,(H,28,34,36)(H,29,30,35)(H,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117856 (US8653087, III-536) Show SMILES COCCN1CCN(CC1)c1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3ccc(F)c(c3)C(F)(F)F)c2n1 Show InChI InChI=1S/C28H28F4N8O2/c1-17-3-4-18(26(41)36-19-5-6-21(29)20(14-19)28(30,31)32)13-22(17)37-25-24-23(34-16-35-25)15-33-27(38-24)40-9-7-39(8-10-40)11-12-42-2/h3-6,13-16H,7-12H2,1-2H3,(H,36,41)(H,34,35,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117871 (US8653087, III-551) Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N3CCCOCC3)c2)cc1C(F)(F)F Show InChI InChI=1S/C27H26F3N7O3/c1-16-4-5-17(25(38)34-18-6-7-22(39-2)19(13-18)27(28,29)30)12-20(16)35-24-23-21(32-15-33-24)14-31-26(36-23)37-8-3-10-40-11-9-37/h4-7,12-15H,3,8-11H2,1-2H3,(H,34,38)(H,32,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117913 (US8653087, III-593) Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(NC5CC(C5)N5CCN(C)CC5)nc34)c2)cc1C(F)(F)F |(-12.95,2.15,;-12.95,.61,;-11.61,-.16,;-11.61,-1.7,;-10.28,-2.47,;-8.94,-1.7,;-7.61,-2.47,;-6.28,-1.7,;-6.28,-.16,;-4.94,-2.47,;-4.94,-4.01,;-3.61,-4.78,;-2.28,-4.01,;-.94,-4.78,;-2.28,-2.47,;-.94,-1.7,;-.94,-.16,;-2.28,.61,;-2.28,2.15,;-.94,2.92,;.39,2.15,;1.72,2.92,;3.06,2.15,;3.06,.61,;4.39,-.16,;5.73,.61,;7.21,.21,;7.61,1.7,;6.12,2.1,;8.94,2.47,;10.28,1.7,;11.61,2.47,;11.61,4.01,;12.95,4.78,;10.28,4.78,;8.94,4.01,;1.72,-.16,;.39,.61,;-3.61,-1.7,;-8.94,-.16,;-10.28,.61,;-10.28,2.15,;-11.61,2.92,;-8.94,2.92,;-8.94,1.38,)| Show InChI InChI=1S/C31H34F3N9O2/c1-18-4-5-19(29(44)38-20-6-7-26(45-3)23(15-20)31(32,33)34)12-24(18)40-28-27-25(36-17-37-28)16-35-30(41-27)39-21-13-22(14-21)43-10-8-42(2)9-11-43/h4-7,12,15-17,21-22H,8-11,13-14H2,1-3H3,(H,38,44)(H,35,39,41)(H,36,37,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117918 (US8653087, III-598) Show SMILES CN(C)CCCNc1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cc(on3)C(C)(C)C)c2n1 Show InChI InChI=1S/C26H33N9O2/c1-16-8-9-17(24(36)32-21-13-20(37-34-21)26(2,3)4)12-18(16)31-23-22-19(29-15-30-23)14-28-25(33-22)27-10-7-11-35(5)6/h8-9,12-15H,7,10-11H2,1-6H3,(H,27,28,33)(H,29,30,31)(H,32,34,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117923 (US8653087, III-603) Show SMILES CN1CCC2(CCN(C2)c2ncc3ncnc(Nc4cc(ccc4C)C(=O)Nc4cc(on4)C(C)(C)C)c3n2)C1 Show InChI InChI=1S/C29H35N9O2/c1-18-6-7-19(26(39)34-23-13-22(40-36-23)28(2,3)4)12-20(18)33-25-24-21(31-17-32-25)14-30-27(35-24)38-11-9-29(16-38)8-10-37(5)15-29/h6-7,12-14,17H,8-11,15-16H2,1-5H3,(H,31,32,33)(H,34,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair

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