Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'rode' and Initial = 'h'   

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
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM6760 ((+)-K-252a | CHEMBL281948 | K-252a | methyl (15S,1...) Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of MLCK by HTRF assay				Bioorg Med Chem 19: 429-39 (2011) Article DOI: 10.1016/j.bmc.2010.11.007 BindingDB Entry DOI: 10.7270/Q22F7NQN
					More data for this Ligand-Target Pair
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM50216683 (1-(5-iodonaphthalen-1-ylsulfonyl)-1,4-diazepane | ...) Show SMILES Ic1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C15H17IN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of MLCK by HTRF assay				Bioorg Med Chem 19: 429-39 (2011) Article DOI: 10.1016/j.bmc.2010.11.007 BindingDB Entry DOI: 10.7270/Q22F7NQN
					More data for this Ligand-Target Pair
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM50216681 (1-(5-chloronaphthalen-1-ylsulfonyl)-1,4-diazepane ...) Show SMILES Clc1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C15H17ClN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of MLCK by HTRF assay				Bioorg Med Chem 19: 429-39 (2011) Article DOI: 10.1016/j.bmc.2010.11.007 BindingDB Entry DOI: 10.7270/Q22F7NQN
					More data for this Ligand-Target Pair
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM50111446 (5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexy...) Show SMILES NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 Show InChI InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of MLCK by HTRF assay				Bioorg Med Chem 19: 429-39 (2011) Article DOI: 10.1016/j.bmc.2010.11.007 BindingDB Entry DOI: 10.7270/Q22F7NQN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210] (Homo sapiens (Human))	BDBM4567 (4-anilinoquinazoline deriv. 2 | BMC163482 Compound...) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM31826 (4-aminoquinazoline, 2a | BMC163482 Compound 3 | CH...) Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of wild type EGFR by HTRF assay				J Med Chem 53: 2892-901 (2010) Article DOI: 10.1021/jm901877j BindingDB Entry DOI: 10.7270/Q2T43T7N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of wild type EGFR by HTRF assay				J Med Chem 53: 2892-901 (2010) Article DOI: 10.1021/jm901877j BindingDB Entry DOI: 10.7270/Q2T43T7N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [668-1210] (Homo sapiens (Human))	BDBM4583 ((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.400	11	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society					Assay Description Tyrosine kinase inhibition assay using wild type cSrc measured by a fluorescence-labeled approach.				Nat Chem Biol 5: 394-6 (2009) Article DOI: 10.1038/nchembio.162 BindingDB Entry DOI: 10.7270/Q20V8B46
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.400	11	n/a	n/a	n/a	7.0	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...				J Med Chem 52: 3915-26 (2009) Article DOI: 10.1021/jm9002928 BindingDB Entry DOI: 10.7270/Q2VT1QD3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [668-1210] (Homo sapiens (Human))	BDBM31826 (4-aminoquinazoline, 2a | BMC163482 Compound 3 | CH...) Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [696-1210,T790M] (Homo sapiens (Human))	BDBM4567 (4-anilinoquinazoline deriv. 2 | BMC163482 Compound...) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50314991 (CHEMBL1089524 | N-(4-(3-Bromophenylamino)quinolin-...) Show SMILES CN(C)CCCC(=O)Nc1ccc2nccc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C21H23BrN4O/c1-26(2)12-4-7-21(27)25-17-8-9-19-18(14-17)20(10-11-23-19)24-16-6-3-5-15(22)13-16/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,23,24)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of wild type EGFR by HTRF assay				J Med Chem 53: 2892-901 (2010) Article DOI: 10.1021/jm901877j BindingDB Entry DOI: 10.7270/Q2T43T7N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [696-1210,T790M] (Homo sapiens (Human))	BDBM4583 ((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [668-1210] (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.30	8	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society					Assay Description Tyrosine kinase inhibition assay using wild type cSrc measured by a fluorescence-labeled approach.				Nat Chem Biol 5: 394-6 (2009) Article DOI: 10.1038/nchembio.162 BindingDB Entry DOI: 10.7270/Q20V8B46
					More data for this Ligand-Target Pair				3D Structure (docked)
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM31829 (RL46 | quinazoline-pyrazolourea hybrid compound, 3...) Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(C)c4)C(C)(C)C)cc3)c2c1 Show InChI InChI=1S/C32H34N8O2/c1-6-29(41)35-23-14-15-26-25(17-23)30(34-19-33-26)36-21-10-12-22(13-11-21)37-31(42)38-28-18-27(32(3,4)5)39-40(28)24-9-7-8-20(2)16-24/h7-19H,6H2,1-5H3,(H,35,41)(H,33,34,36)(H2,37,38,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	56	n/a	n/a	n/a	7.0	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...				J Med Chem 52: 3915-26 (2009) Article DOI: 10.1021/jm9002928 BindingDB Entry DOI: 10.7270/Q2VT1QD3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50314992 (CHEMBL1092382 | N-(4-(3-Bromophenylamino)quinolin-...) Show SMILES CCC(=O)Nc1ccc2nccc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C18H16BrN3O/c1-2-18(23)22-14-6-7-16-15(11-14)17(8-9-20-16)21-13-5-3-4-12(19)10-13/h3-11H,2H2,1H3,(H,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of wild type EGFR by HTRF assay				J Med Chem 53: 2892-901 (2010) Article DOI: 10.1021/jm901877j BindingDB Entry DOI: 10.7270/Q2T43T7N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50314989 (CHEMBL1092250 | N-(3-Ethynylphenyl)-6,7-dimethoxyq...) Show SMILES COc1cc2nccc(Nc3cccc(c3)C#C)c2cc1OC Show InChI InChI=1S/C19H16N2O2/c1-4-13-6-5-7-14(10-13)21-16-8-9-20-17-12-19(23-3)18(22-2)11-15(16)17/h1,5-12H,2-3H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of wild type EGFR by HTRF assay				J Med Chem 53: 2892-901 (2010) Article DOI: 10.1021/jm901877j BindingDB Entry DOI: 10.7270/Q2T43T7N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM31828 (quinazoline-pyrazolourea hybrid compound, 3b) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3ccc(N)cc23)cc1)C(C)(C)C Show InChI InChI=1S/C29H30N8O/c1-18-6-5-7-22(14-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-11-9-20(10-12-21)33-27-23-15-19(30)8-13-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	21	73	n/a	n/a	n/a	7.0	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...				J Med Chem 52: 3915-26 (2009) Article DOI: 10.1021/jm9002928 BindingDB Entry DOI: 10.7270/Q2VT1QD3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src [251-533,T338M] (Gallus gallus (Chicken))	BDBM31829 (RL46 | quinazoline-pyrazolourea hybrid compound, 3...) Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(C)c4)C(C)(C)C)cc3)c2c1 Show InChI InChI=1S/C32H34N8O2/c1-6-29(41)35-23-14-15-26-25(17-23)30(34-19-33-26)36-21-10-12-22(13-11-21)37-31(42)38-28-18-27(32(3,4)5)39-40(28)24-9-7-8-20(2)16-24/h7-19H,6H2,1-5H3,(H,35,41)(H,33,34,36)(H2,37,38,42)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	7.0	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...				J Med Chem 52: 3915-26 (2009) Article DOI: 10.1021/jm9002928 BindingDB Entry DOI: 10.7270/Q2VT1QD3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50314990 (CHEMBL1089203 | N-(3-Ethynylphenyl)-6,7-bis(2-meth...) Show SMILES COCCOc1cc2nccc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C23H24N2O4/c1-4-17-6-5-7-18(14-17)25-20-8-9-24-21-16-23(29-13-11-27-3)22(15-19(20)21)28-12-10-26-2/h1,5-9,14-16H,10-13H2,2-3H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of wild type EGFR by HTRF assay				J Med Chem 53: 2892-901 (2010) Article DOI: 10.1021/jm901877j BindingDB Entry DOI: 10.7270/Q2T43T7N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [251-533,T338M] (Gallus gallus (Chicken))	BDBM31828 (quinazoline-pyrazolourea hybrid compound, 3b) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3ccc(N)cc23)cc1)C(C)(C)C Show InChI InChI=1S/C29H30N8O/c1-18-6-5-7-22(14-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-11-9-20(10-12-21)33-27-23-15-19(30)8-13-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	7.0	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...				J Med Chem 52: 3915-26 (2009) Article DOI: 10.1021/jm9002928 BindingDB Entry DOI: 10.7270/Q2VT1QD3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM31827 (quinazoline-pyrazolourea hybrid compound, 3a) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3ccc(cc23)[N+]([O-])=O)cc1)C(C)(C)C Show InChI InChI=1S/C29H28N8O3/c1-18-6-5-7-21(14-18)36-26(16-25(35-36)29(2,3)4)34-28(38)33-20-10-8-19(9-11-20)32-27-23-15-22(37(39)40)12-13-24(23)30-17-31-27/h5-17H,1-4H3,(H,30,31,32)(H2,33,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	174	n/a	n/a	n/a	7.0	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...				J Med Chem 52: 3915-26 (2009) Article DOI: 10.1021/jm9002928 BindingDB Entry DOI: 10.7270/Q2VT1QD3
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [251-533,T338M] (Gallus gallus (Chicken))	BDBM31827 (quinazoline-pyrazolourea hybrid compound, 3a) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3ccc(cc23)[N+]([O-])=O)cc1)C(C)(C)C Show InChI InChI=1S/C29H28N8O3/c1-18-6-5-7-21(14-18)36-26(16-25(35-36)29(2,3)4)34-28(38)33-20-10-8-19(9-11-20)32-27-23-15-22(37(39)40)12-13-24(23)30-17-31-27/h5-17H,1-4H3,(H,30,31,32)(H2,33,34,38)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	7.0	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...				J Med Chem 52: 3915-26 (2009) Article DOI: 10.1021/jm9002928 BindingDB Entry DOI: 10.7270/Q2VT1QD3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50334225 ((E)-N-(1-(3-Bromophenylamino)-4-cyanoisoquinolin-7...) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2c(cnc(Nc3cccc(Br)c3)c2c1)C#N Show InChI InChI=1S/C22H20BrN5O/c1-28(2)10-4-7-21(29)26-18-8-9-19-15(13-24)14-25-22(20(19)12-18)27-17-6-3-5-16(23)11-17/h3-9,11-12,14H,10H2,1-2H3,(H,25,27)(H,26,29)/b7-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of EGFR by HTRF assay				Bioorg Med Chem 19: 429-39 (2011) Article DOI: 10.1016/j.bmc.2010.11.007 BindingDB Entry DOI: 10.7270/Q22F7NQN
					More data for this Ligand-Target Pair
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM15234 ((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15| Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of MLCK by HTRF assay				Bioorg Med Chem 19: 429-39 (2011) Article DOI: 10.1016/j.bmc.2010.11.007 BindingDB Entry DOI: 10.7270/Q22F7NQN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM31830 (quinazoline-pyrazolourea hybrid compound, 3d) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(cc23)[N+]([O-])=O)c1)C(C)(C)C Show InChI InChI=1S/C29H28N8O3/c1-18-7-5-10-21(13-18)36-26(16-25(35-36)29(2,3)4)34-28(38)33-20-9-6-8-19(14-20)32-27-23-15-22(37(39)40)11-12-24(23)30-17-31-27/h5-17H,1-4H3,(H,30,31,32)(H2,33,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	207	256	n/a	n/a	n/a	7.0	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...				J Med Chem 52: 3915-26 (2009) Article DOI: 10.1021/jm9002928 BindingDB Entry DOI: 10.7270/Q2VT1QD3
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM31831 (quinazoline-pyrazolourea hybrid compound, 3e) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(N)cc23)c1)C(C)(C)C Show InChI InChI=1S/C29H30N8O/c1-18-7-5-10-22(13-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-9-6-8-20(15-21)33-27-23-14-19(30)11-12-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	235	239	n/a	n/a	n/a	7.0	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...				J Med Chem 52: 3915-26 (2009) Article DOI: 10.1021/jm9002928 BindingDB Entry DOI: 10.7270/Q2VT1QD3
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [251-533,S345C] (Gallus gallus (Chicken))	BDBM4583 ((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	236	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 values were determined with the Z lyte assay system (Invitrogen). The reactions were performed in 384-well small volume plates from Greiner (#7...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [696-1210,T790M] (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src [251-533,S345C] (Gallus gallus (Chicken))	BDBM4567 (4-anilinoquinazoline deriv. 2 | BMC163482 Compound...) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 values were determined with the Z lyte assay system (Invitrogen). The reactions were performed in 384-well small volume plates from Greiner (#7...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [696-1210,T790M] (Homo sapiens (Human))	BDBM31826 (4-aminoquinazoline, 2a | BMC163482 Compound 3 | CH...) Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src [251-533,T338M] (Gallus gallus (Chicken))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	7.0	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...				J Med Chem 52: 3915-26 (2009) Article DOI: 10.1021/jm9002928 BindingDB Entry DOI: 10.7270/Q2VT1QD3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50324688 (CHEMBL1221700 | N-(4-(4-tert-butylphenylamino)quin...) Show SMILES CC(C)(C)c1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1 Show InChI InChI=1S/C21H22N4O/c1-5-19(26)24-16-10-11-18-17(12-16)20(23-13-22-18)25-15-8-6-14(7-9-15)21(2,3)4/h5-13H,1H2,2-4H3,(H,24,26)(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	689	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR expressed in baculovirus-infected Sf9 cells by radioactive phosphotransfer assay				Nat Chem Biol 3: 229-38 (2007) Article DOI: 10.1038/nchembio866 BindingDB Entry DOI: 10.7270/Q2XK8FR4
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [251-533,S345C] (Gallus gallus (Chicken))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 values were determined with the Z lyte assay system (Invitrogen). The reactions were performed in 384-well small volume plates from Greiner (#7...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50334224 (CHEMBL1641992 | N-(1-(3-Bromophenylamino)-4-cyanoi...) Show SMILES CN1CCN(CCC(=O)Nc2ccc3c(cnc(Nc4cccc(Br)c4)c3c2)C#N)CC1 Show InChI InChI=1S/C24H25BrN6O/c1-30-9-11-31(12-10-30)8-7-23(32)28-20-5-6-21-17(15-26)16-27-24(22(21)14-20)29-19-4-2-3-18(25)13-19/h2-6,13-14,16H,7-12H2,1H3,(H,27,29)(H,28,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of EGFR by HTRF assay				Bioorg Med Chem 19: 429-39 (2011) Article DOI: 10.1016/j.bmc.2010.11.007 BindingDB Entry DOI: 10.7270/Q22F7NQN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50334221 ((S)-N-(1-(3-Bromophenylamino)-4-cyanoisoquinolin-7...) Show SMILES Brc1cccc(Nc2ncc(C#N)c3ccc(NC(=O)[C@@H]4CCC(=O)N4)cc23)c1 |r| Show InChI InChI=1S/C21H16BrN5O2/c22-13-2-1-3-14(8-13)25-20-17-9-15(4-5-16(17)12(10-23)11-24-20)26-21(29)18-6-7-19(28)27-18/h1-5,8-9,11,18H,6-7H2,(H,24,25)(H,26,29)(H,27,28)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of EGFR by HTRF assay				Bioorg Med Chem 19: 429-39 (2011) Article DOI: 10.1016/j.bmc.2010.11.007 BindingDB Entry DOI: 10.7270/Q22F7NQN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [251-533,T338M,S345C] (Gallus gallus (Chicken))	BDBM4567 (4-anilinoquinazoline deriv. 2 | BMC163482 Compound...) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 values were determined with the Z lyte assay system (Invitrogen). The reactions were performed in 384-well small volume plates from Greiner (#7...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50324687 (CHEMBL1221699 | N-(4-(phenylamino)quinazolin-6-yl)...) Show SMILES C=CC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1 Show InChI InChI=1S/C17H14N4O/c1-2-16(22)20-13-8-9-15-14(10-13)17(19-11-18-15)21-12-6-4-3-5-7-12/h2-11H,1H2,(H,20,22)(H,18,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Fyn expressed in Escherichia coli C43 by radioactive phosphotransfer assay				Nat Chem Biol 3: 229-38 (2007) Article DOI: 10.1038/nchembio866 BindingDB Entry DOI: 10.7270/Q2XK8FR4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50334226 (CHEMBL1641989 | N-(1-(3-Bromophenylamino)-4-cyanoi...) Show SMILES CN(C)CCCC(=O)Nc1ccc2c(cnc(Nc3cccc(Br)c3)c2c1)C#N Show InChI InChI=1S/C22H22BrN5O/c1-28(2)10-4-7-21(29)26-18-8-9-19-15(13-24)14-25-22(20(19)12-18)27-17-6-3-5-16(23)11-17/h3,5-6,8-9,11-12,14H,4,7,10H2,1-2H3,(H,25,27)(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of EGFR by HTRF assay				Bioorg Med Chem 19: 429-39 (2011) Article DOI: 10.1016/j.bmc.2010.11.007 BindingDB Entry DOI: 10.7270/Q22F7NQN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [251-533,T338M,S345C] (Gallus gallus (Chicken))	BDBM4583 ((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.71E+3	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 values were determined with the Z lyte assay system (Invitrogen). The reactions were performed in 384-well small volume plates from Greiner (#7...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src [251-533,S345C] (Gallus gallus (Chicken))	BDBM31826 (4-aminoquinazoline, 2a | BMC163482 Compound 3 | CH...) Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 values were determined with the Z lyte assay system (Invitrogen). The reactions were performed in 384-well small volume plates from Greiner (#7...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair				3D Structure (docked)
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM31826 (4-aminoquinazoline, 2a | BMC163482 Compound 3 | CH...) Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	7.0	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...				J Med Chem 52: 3915-26 (2009) Article DOI: 10.1021/jm9002928 BindingDB Entry DOI: 10.7270/Q2VT1QD3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50334223 (CHEMBL1641993 | N-(1-(3-Bromophenylamino)-4-cyanoi...) Show SMILES Brc1cccc(Nc2ncc(C#N)c3ccc(NC(=O)CCN4CCOCC4)cc23)c1 Show InChI InChI=1S/C23H22BrN5O2/c24-17-2-1-3-18(12-17)28-23-21-13-19(4-5-20(21)16(14-25)15-26-23)27-22(30)6-7-29-8-10-31-11-9-29/h1-5,12-13,15H,6-11H2,(H,26,28)(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of EGFR by HTRF assay				Bioorg Med Chem 19: 429-39 (2011) Article DOI: 10.1016/j.bmc.2010.11.007 BindingDB Entry DOI: 10.7270/Q22F7NQN
					More data for this Ligand-Target Pair
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM50334224 (CHEMBL1641992 | N-(1-(3-Bromophenylamino)-4-cyanoi...) Show SMILES CN1CCN(CCC(=O)Nc2ccc3c(cnc(Nc4cccc(Br)c4)c3c2)C#N)CC1 Show InChI InChI=1S/C24H25BrN6O/c1-30-9-11-31(12-10-30)8-7-23(32)28-20-5-6-21-17(15-26)16-27-24(22(21)14-20)29-19-4-2-3-18(25)13-19/h2-6,13-14,16H,7-12H2,1H3,(H,27,29)(H,28,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of MLCK by HTRF assay				Bioorg Med Chem 19: 429-39 (2011) Article DOI: 10.1016/j.bmc.2010.11.007 BindingDB Entry DOI: 10.7270/Q22F7NQN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50334222 (CHEMBL1641994 | Ethyl 1-(3-Bromopheylamino)-4-cyan...) Show SMILES CCOC(=O)Nc1ccc2c(cnc(Nc3cccc(Br)c3)c2c1)C#N Show InChI InChI=1S/C19H15BrN4O2/c1-2-26-19(25)24-15-6-7-16-12(10-21)11-22-18(17(16)9-15)23-14-5-3-4-13(20)8-14/h3-9,11H,2H2,1H3,(H,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of EGFR by HTRF assay				Bioorg Med Chem 19: 429-39 (2011) Article DOI: 10.1016/j.bmc.2010.11.007 BindingDB Entry DOI: 10.7270/Q22F7NQN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [251-533,T338M,S345C] (Gallus gallus (Chicken))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 values were determined with the Z lyte assay system (Invitrogen). The reactions were performed in 384-well small volume plates from Greiner (#7...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50324686 (CHEMBL1221770 | N-(4-(naphthalen-1-ylamino)quinazo...) Show SMILES C=CC(=O)Nc1ccc2ncnc(Nc3cccc4ccccc34)c2c1 Show InChI InChI=1S/C21H16N4O/c1-2-20(26)24-15-10-11-18-17(12-15)21(23-13-22-18)25-19-9-5-7-14-6-3-4-8-16(14)19/h2-13H,1H2,(H,24,26)(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of c-src in by radioactive phosphotransfer assay				Nat Chem Biol 3: 229-38 (2007) Article DOI: 10.1038/nchembio866 BindingDB Entry DOI: 10.7270/Q2XK8FR4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50324686 (CHEMBL1221770 | N-(4-(naphthalen-1-ylamino)quinazo...) Show SMILES C=CC(=O)Nc1ccc2ncnc(Nc3cccc4ccccc34)c2c1 Show InChI InChI=1S/C21H16N4O/c1-2-20(26)24-15-10-11-18-17(12-15)21(23-13-22-18)25-19-9-5-7-14-6-3-4-8-16(14)19/h2-13H,1H2,(H,24,26)(H,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Fyn expressed in Escherichia coli C43 by radioactive phosphotransfer assay				Nat Chem Biol 3: 229-38 (2007) Article DOI: 10.1038/nchembio866 BindingDB Entry DOI: 10.7270/Q2XK8FR4
					More data for this Ligand-Target Pair

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