Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 10611   

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 (Homo sapiens (Human))	BDBM435718 (US10570155, Compound 2II | US11332479, Compound 2I...) Show SMILES CCN1CCN(CCNc2nccc(n2)-c2c(nc3occn23)-c2cccc(O)c2)S1(=O)=O Show InChI InChI=1S/C21H23N7O4S/c1-2-26-10-11-27(33(26,30)31)9-8-23-20-22-7-6-17(24-20)19-18(15-4-3-5-16(29)14-15)25-21-28(19)12-13-32-21/h3-7,12-14,29H,2,8-11H2,1H3,(H,22,23,24)	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	<0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM554464 (US11332479, Compound 50III) Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCNc1nccc(n1)-c1c(nc2sccn12)-c1ccc(F)c(O)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM554470 (US11332479, Compound 72IV) Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCNc1nccc(n1)-c1c(nc2occn12)-c1ccc(F)c(O)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM554469 (US11332479, Compound 70IV) Show SMILES Oc1cc(ccc1F)-c1nc2occn2c1-c1ccnc(NCCCNS(=O)(=O)c2ccc(Cl)cc2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM554462 (US11332479, Compound 46III) Show SMILES Oc1cc(ccc1F)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccccc2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM554471 (US11332479, Compound 73IV) Show SMILES Oc1cc(ccc1F)-c1nc2occn2c1-c1ccnc(NCCCNS(=O)(=O)c2ccccc2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM554463 (US11332479, Compound 48III) Show SMILES Oc1cc(ccc1F)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2ccc(Cl)cc2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM554467 (US11332479, Compound 64IV) Show SMILES Oc1cc(ccc1F)-c1nc2occn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(F)cc2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM554460 (US11332479, Compound 42III) Show SMILES Oc1cc(ccc1F)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(F)cc2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM554468 (US11332479, Compound 65IV) Show SMILES Oc1cc(ccc1F)-c1nc2occn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(Cl)cc2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM435718 (US10570155, Compound 2II | US11332479, Compound 2I...) Show SMILES CCN1CCN(CCNc2nccc(n2)-c2c(nc3occn23)-c2cccc(O)c2)S1(=O)=O Show InChI InChI=1S/C21H23N7O4S/c1-2-26-10-11-27(33(26,30)31)9-8-23-20-22-7-6-17(24-20)19-18(15-4-3-5-16(29)14-15)25-21-28(19)12-13-32-21/h3-7,12-14,29H,2,8-11H2,1H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [696-1022,L858R] (Homo sapiens (Human))	BDBM435718 (US10570155, Compound 2II | US11332479, Compound 2I...) Show SMILES CCN1CCN(CCNc2nccc(n2)-c2c(nc3occn23)-c2cccc(O)c2)S1(=O)=O Show InChI InChI=1S/C21H23N7O4S/c1-2-26-10-11-27(33(26,30)31)9-8-23-20-22-7-6-17(24-20)19-18(15-4-3-5-16(29)14-15)25-21-28(19)12-13-32-21/h3-7,12-14,29H,2,8-11H2,1H3,(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM554457 (US11332479, Compound 31II) Show SMILES CCN1CCN(CCNc2nccc(n2)-c2c(nc3sccn23)-c2ccc(F)c(O)c2)S1(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM435721 (US10570155, Compound 25III | US11332479, Compound ...) Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(F)cc2)n1 Show InChI InChI=1S/C23H19FN6O3S2/c24-16-4-6-18(7-5-16)35(32,33)27-11-10-26-22-25-9-8-19(28-22)21-20(15-2-1-3-17(31)14-15)29-23-30(21)12-13-34-23/h1-9,12-14,27,31H,10-11H2,(H,25,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM554465 (US11332479, Compound 52III) Show SMILES Nc1cc(ccc1F)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2ccc(F)cc2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.03	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM554458 (US11332479, Compound 37III) Show SMILES COc1cc(ccc1F)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2ccc(F)cc2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.66	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM435711 (US10570155, Compound 1II | US11332479, Compound 1I...) Show SMILES CN1CCN(CCNc2nccc(n2)-c2c(nc3occn23)-c2cccc(O)c2)S1(=O)=O Show InChI InChI=1S/C20H21N7O4S/c1-25-9-10-26(32(25,29)30)8-7-22-19-21-6-5-16(23-19)18-17(14-3-2-4-15(28)13-14)24-20-27(18)11-12-31-20/h2-6,11-13,28H,7-10H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.85	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM554459 (US11332479, Compound 38III) Show SMILES COc1cc(ccc1F)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2ccc(Cl)cc2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.89	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [696-1022,L858R] (Homo sapiens (Human))	BDBM50289149 (GW305074X | GW5074 | US10570155, GW5074 | US113324...) Show SMILES Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br Show InChI InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.58	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM554465 (US11332479, Compound 52III) Show SMILES Nc1cc(ccc1F)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2ccc(F)cc2)n1 Show InChI	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	2.68	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [696-1022,L858R] (Homo sapiens (Human))	BDBM435711 (US10570155, Compound 1II | US11332479, Compound 1I...) Show SMILES CN1CCN(CCNc2nccc(n2)-c2c(nc3occn23)-c2cccc(O)c2)S1(=O)=O Show InChI InChI=1S/C20H21N7O4S/c1-25-9-10-26(32(25,29)30)8-7-22-19-21-6-5-16(23-19)18-17(14-3-2-4-15(28)13-14)24-20-27(18)11-12-31-20/h2-6,11-13,28H,7-10H2,1H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.95	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM50289149 (GW305074X | GW5074 | US10570155, GW5074 | US113324...) Show SMILES Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br Show InChI InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.96	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM435711 (US10570155, Compound 1II | US11332479, Compound 1I...) Show SMILES CN1CCN(CCNc2nccc(n2)-c2c(nc3occn23)-c2cccc(O)c2)S1(=O)=O Show InChI InChI=1S/C20H21N7O4S/c1-25-9-10-26(32(25,29)30)8-7-22-19-21-6-5-16(23-19)18-17(14-3-2-4-15(28)13-14)24-20-27(18)11-12-31-20/h2-6,11-13,28H,7-10H2,1H3,(H,21,22,23)	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	3.23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM554457 (US11332479, Compound 31II) Show SMILES CCN1CCN(CCNc2nccc(n2)-c2c(nc3sccn23)-c2ccc(F)c(O)c2)S1(=O)=O Show InChI	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	4.19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [696-1022,L858R] (Homo sapiens (Human))	BDBM554465 (US11332479, Compound 52III) Show SMILES Nc1cc(ccc1F)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2ccc(F)cc2)n1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM435721 (US10570155, Compound 25III | US11332479, Compound ...) Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(F)cc2)n1 Show InChI InChI=1S/C23H19FN6O3S2/c24-16-4-6-18(7-5-16)35(32,33)27-11-10-26-22-25-9-8-19(28-22)21-20(15-2-1-3-17(31)14-15)29-23-30(21)12-13-34-23/h1-9,12-14,27,31H,10-11H2,(H,25,26,28)	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	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM554461 (US11332479, Compound 43III) Show SMILES Oc1cc(ccc1F)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(Cl)cc2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.96	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [696-1022,L858R] (Homo sapiens (Human))	BDBM554457 (US11332479, Compound 31II) Show SMILES CCN1CCN(CCNc2nccc(n2)-c2c(nc3sccn23)-c2ccc(F)c(O)c2)S1(=O)=O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.83	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50289149 (GW305074X | GW5074 | US10570155, GW5074 | US113324...) Show SMILES Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br Show InChI InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.52	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM554458 (US11332479, Compound 37III) Show SMILES COc1cc(ccc1F)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2ccc(F)cc2)n1 Show InChI	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	8.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM554466 (US11332479, Compound 60IV) Show SMILES COc1cc(ccc1F)-c1nc2occn2c1-c1ccnc(NCCCNS(=O)(=O)c2ccc(Cl)cc2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [696-1022,L858R] (Homo sapiens (Human))	BDBM554458 (US11332479, Compound 37III) Show SMILES COc1cc(ccc1F)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2ccc(F)cc2)n1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM50396483 (PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [696-1022,L858R] (Homo sapiens (Human))	BDBM50396483 (PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM435719 (US10570155, Compound 2III | US11332479, Compound 2...) Show SMILES COc1ccc(cc1)S(=O)(=O)NCCNc1nccc(n1)-c1c(nc2sccn12)-c1ccccc1 Show InChI InChI=1S/C24H22N6O3S2/c1-33-18-7-9-19(10-8-18)35(31,32)27-14-13-26-23-25-12-11-20(28-23)22-21(17-5-3-2-4-6-17)29-24-30(22)15-16-34-24/h2-12,15-16,27H,13-14H2,1H3,(H,25,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM435720 (US10570155, Compound 8III | US11332479, Compound 8...) Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C25H21F3N6O3S2/c1-37-18-4-2-3-16(15-18)21-22(34-13-14-38-24(34)33-21)20-9-10-29-23(32-20)30-11-12-31-39(35,36)19-7-5-17(6-8-19)25(26,27)28/h2-10,13-15,31H,11-12H2,1H3,(H,29,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50396483 (PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM435719 (US10570155, Compound 2III | US11332479, Compound 2...) Show SMILES COc1ccc(cc1)S(=O)(=O)NCCNc1nccc(n1)-c1c(nc2sccn12)-c1ccccc1 Show InChI InChI=1S/C24H22N6O3S2/c1-33-18-7-9-19(10-8-18)35(31,32)27-14-13-26-23-25-12-11-20(28-23)22-21(17-5-3-2-4-6-17)29-24-30(22)15-16-34-24/h2-12,15-16,27H,13-14H2,1H3,(H,25,26,28)	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	459	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM435720 (US10570155, Compound 8III | US11332479, Compound 8...) Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C25H21F3N6O3S2/c1-37-18-4-2-3-16(15-18)21-22(34-13-14-38-24(34)33-21)20-9-10-29-23(32-20)30-11-12-31-39(35,36)19-7-5-17(6-8-19)25(26,27)28/h2-10,13-15,31H,11-12H2,1H3,(H,29,30,32)	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	687	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair