Compile Data Set for Download or QSAR

Found 401 hits of ec50 for UniProtKB: P12931   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50242740 (CHEMBL459850 | N-(3-(7-Amino-1-methyl-2-oxo-1,2-di...) Show SMILES CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C22H19F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-10H,11H2,1-2H3,(H,28,32)(H2,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Src by cellular assay				Proc Natl Acad Sci USA 104: 19936-41 (2007) Article DOI: 10.1073/pnas.0707498104 BindingDB Entry DOI: 10.7270/Q24X58QS
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM482158 (BDBM50242742 | TAE684) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Src by cellular assay				Proc Natl Acad Sci USA 104: 19936-41 (2007) Article DOI: 10.1073/pnas.0707498104 BindingDB Entry DOI: 10.7270/Q24X58QS
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340118 (US10239883, Example 1 | US10934296, Example 1 | US...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C=C |r| Show InChI InChI=1S/C25H23N7O2/c1-2-20(33)31-14-5-6-18(31)24-30-21(22-23(26)28-13-15-32(22)24)16-8-10-17(11-9-16)25(34)29-19-7-3-4-12-27-19/h2-4,7-13,15,18H,1,5-6,14H2,(H2,26,28)(H,27,29,34)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340080 (US9758524, Example 2) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)\C=C\CC1CCCC1 |r| Show InChI InChI=1S/C31H33N7O2/c32-29-28-27(22-13-15-23(16-14-22)31(40)35-25-11-3-4-17-33-25)36-30(38(28)20-18-34-29)24-10-6-19-37(24)26(39)12-5-9-21-7-1-2-8-21/h3-5,11-18,20-21,24H,1-2,6-10,19H2,(H2,32,34)(H,33,35,40)/b12-5+/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340119 (US10239883, Example 3 | US10934296, Example 3 | US...) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H30N8O2/c1-34(2)16-6-9-23(37)35-17-5-7-21(35)27-33-24(25-26(29)31-15-18-36(25)27)19-10-12-20(13-11-19)28(38)32-22-8-3-4-14-30-22/h3-4,6,8-15,18,21H,5,7,16-17H2,1-2H3,(H2,29,31)(H,30,32,38)/b9-6+/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340081 (US10239883, Example 4 | US10934296, Example 4 | US...) Show SMILES COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H27N7O3/c1-37-17-5-8-22(35)33-15-4-6-20(33)26-32-23(24-25(28)30-14-16-34(24)26)18-9-11-19(12-10-18)27(36)31-21-7-2-3-13-29-21/h2-3,5,7-14,16,20H,4,6,15,17H2,1H3,(H2,28,30)(H,29,31,36)/b8-5+/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340082 (US10239883, Example 5 | US10934296, Example 5 | US...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1 |r| Show InChI InChI=1S/C27H22ClN9O2/c28-27-32-12-10-18(33-27)26(39)36-14-3-4-19(36)24-35-21(22-23(29)31-13-15-37(22)24)16-6-8-17(9-7-16)25(38)34-20-5-1-2-11-30-20/h1-2,5-13,15,19H,3-4,14H2,(H2,29,31)(H,30,34,38)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50175583 (ACP-196 | Acalabrutinib | US10239883, Example 6 | ...) Show SMILES [H][C@]1(CCCN1C(=O)C#CC)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340083 (US10239883, Example 7 | US10934296, Example 7 | US...) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H29FN8O2/c1-35(2)14-4-6-23(38)36-15-3-5-21(36)27-34-24(25-26(30)32-13-16-37(25)27)18-7-9-19(10-8-18)28(39)33-22-17-20(29)11-12-31-22/h4,6-13,16-17,21H,3,5,14-15H2,1-2H3,(H2,30,32)(H,31,33,39)/b6-4+/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340121 (US10239883, Example 8 | US10934296, Example 8 | US...) Show SMILES CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25N7O2/c1-3-5-22(35)33-14-4-6-20(33)26-32-23(24-25(28)30-13-15-34(24)26)18-7-9-19(10-8-18)27(36)31-21-16-17(2)11-12-29-21/h7-13,15-16,20H,4,6,14H2,1-2H3,(H2,28,30)(H,29,31,36)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340122 (US10239883, Example 9 | US10934296, Example 9 | US...) Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r| Show InChI InChI=1S/C30H33N7O3/c1-3-6-20-13-14-32-24(19-20)34-30(39)22-11-9-21(10-12-22)26-27-28(31)33-15-17-37(27)29(35-26)23-7-4-16-36(23)25(38)8-5-18-40-2/h5,8-15,17,19,23H,3-4,6-7,16,18H2,1-2H3,(H2,31,33)(H,32,34,39)/b8-5+/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340123 (US10239883, Example 10 | US10934296, Example 10 | ...) Show SMILES CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H22F3N7O2/c1-2-4-21(38)36-13-3-5-19(36)25-35-22(23-24(31)33-12-14-37(23)25)16-6-8-17(9-7-16)26(39)34-20-15-18(10-11-32-20)27(28,29)30/h6-12,14-15,19H,3,5,13H2,1H3,(H2,31,33)(H,32,34,39)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340084 (US10239883, Example 11 | US10934296, Example 11 | ...) Show SMILES CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r| Show InChI InChI=1S/C29H31N7O3/c1-3-19-12-13-31-23(18-19)33-29(38)21-10-8-20(9-11-21)25-26-27(30)32-14-16-36(26)28(34-25)22-6-4-15-35(22)24(37)7-5-17-39-2/h5,7-14,16,18,22H,3-4,6,15,17H2,1-2H3,(H2,30,32)(H,31,33,38)/b7-5+/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340124 (US10239883, Example 12 | US10934296, Example 12 | ...) Show SMILES CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nc3CCCCc3s2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H27N7O2S/c1-2-6-22(36)34-15-5-8-20(34)26-32-23(24-25(29)30-14-16-35(24)26)17-10-12-18(13-11-17)27(37)33-28-31-19-7-3-4-9-21(19)38-28/h10-14,16,20H,3-5,7-9,15H2,1H3,(H2,29,30)(H,31,33,37)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340125 (US10934296, Example 13 | US9758524, Example 13) Show SMILES Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(F)c3)c12)[C@@H]1CCCN1C(=O)C=C |r| Show InChI InChI=1S/C25H22FN7O2/c1-2-20(34)32-12-5-6-18(32)24-31-21(22-23(27)29-11-13-33(22)24)15-8-9-16(17(26)14-15)25(35)30-19-7-3-4-10-28-19/h2-4,7-11,13-14,18H,1,5-6,12H2,(H2,27,29)(H,28,30,35)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340126 (US10239883, Example 14 | US10934296, Example 14 | ...) Show SMILES COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@@H]2CCCN2C(=O)C=C)n2ccnc(N)c12 |r| Show InChI InChI=1S/C26H25N7O3/c1-3-21(34)32-13-6-7-18(32)25-31-22(23-24(27)29-12-14-33(23)25)16-9-10-17(19(15-16)36-2)26(35)30-20-8-4-5-11-28-20/h3-5,8-12,14-15,18H,1,6-7,13H2,2H3,(H2,27,29)(H,28,30,35)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340127 (US10239883, Example 15 | US10934296, Example 15 | ...) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nccs2)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H28N8O2S/c1-32(2)13-4-6-20(35)33-14-3-5-19(33)24-30-21(22-23(27)28-11-15-34(22)24)17-7-9-18(10-8-17)25(36)31-26-29-12-16-37-26/h4,6-12,15-16,19H,3,5,13-14H2,1-2H3,(H2,27,28)(H,29,31,36)/b6-4+/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340128 (US10239883, Example 16 | US10934296, Example 16 | ...) Show SMILES COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H29N7O3/c1-38-18-6-9-23(36)34-16-5-3-7-21(34)27-33-24(25-26(29)31-15-17-35(25)27)19-10-12-20(13-11-19)28(37)32-22-8-2-4-14-30-22/h2,4,6,8-15,17,21H,3,5,7,16,18H2,1H3,(H2,29,31)(H,30,32,37)/b9-6+/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340129 (US10239883, Example 17 | US10934296, Example 17 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(F)ccn3)c12)[C@@H]1CCCCN1C(=O)C=C |r| Show InChI InChI=1S/C26H24FN7O2/c1-2-21(35)33-13-4-3-5-19(33)25-32-22(23-24(28)30-12-14-34(23)25)16-6-8-17(9-7-16)26(36)31-20-15-18(27)10-11-29-20/h2,6-12,14-15,19H,1,3-5,13H2,(H2,28,30)(H,29,31,36)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340130 (US10239883, Example 18 | US10934296, Example 18 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C#N)c12)[C@@H]1CCCCN1C(=O)C=C |r| Show InChI InChI=1S/C27H24N8O2/c1-2-22(36)34-13-4-3-5-20(34)26-33-23(24-25(29)31-12-14-35(24)26)18-6-8-19(9-7-18)27(37)32-21-15-17(16-28)10-11-30-21/h2,6-12,14-15,20H,1,3-5,13H2,(H2,29,31)(H,30,32,37)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340131 (US10239883, Example 19 | US10934296, Example 19 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCCN1S(=O)(=O)C=C |r| Show InChI InChI=1S/C26H24F3N7O3S/c1-2-40(38,39)36-13-4-3-5-19(36)24-34-21(22-23(30)32-12-14-35(22)24)16-6-8-17(9-7-16)25(37)33-20-15-18(10-11-31-20)26(27,28)29/h2,6-12,14-15,19H,1,3-5,13H2,(H2,30,32)(H,31,33,37)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340132 (US10239883, Example 20 | US10934296, Example 20 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ncccn3)c12)[C@@H]1CCCCN1C(=O)C=C |r| Show InChI InChI=1S/C25H24N8O2/c1-2-19(34)32-14-4-3-6-18(32)23-30-20(21-22(26)27-13-15-33(21)23)16-7-9-17(10-8-16)24(35)31-25-28-11-5-12-29-25/h2,5,7-13,15,18H,1,3-4,6,14H2,(H2,26,27)(H,28,29,31,35)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340133 (US10239883, Example 21 | US10934296, Example 21 | ...) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r| Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340134 (US10239883, Example 22 | US10934296, Example 22 | ...) Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccncn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H24N8O2/c1-2-5-21(35)33-14-4-3-6-19(33)25-32-22(23-24(27)29-13-15-34(23)25)17-7-9-18(10-8-17)26(36)31-20-11-12-28-16-30-20/h7-13,15-16,19H,3-4,6,14H2,1H3,(H2,27,29)(H,28,30,31,36)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340135 (US10239883, Example 23 | US10934296, Example 23 | ...) Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H24N8O2/c1-2-6-21(35)33-15-4-3-7-19(33)25-31-22(23-24(27)28-14-16-34(23)25)17-9-11-18(12-10-17)26(36)30-20-8-5-13-29-32-20/h5,8-14,16,19H,3-4,7,15H2,1H3,(H2,27,28)(H,30,32,36)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340085 (US10239883, Example 24 | US10934296, Example 24 | ...) Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccon2)c2c(N)nccn12 |r| Show InChI InChI=1S/C25H23N7O3/c1-2-5-20(33)31-13-4-3-6-18(31)24-29-21(22-23(26)27-12-14-32(22)24)16-7-9-17(10-8-16)25(34)28-19-11-15-35-30-19/h7-12,14-15,18H,3-4,6,13H2,1H3,(H2,26,27)(H,28,30,34)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340136 (US10239883, Example 25 | US10934296, Example 25 | ...) Show SMILES CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)s1 |r| Show InChI InChI=1S/C28H31N7O3S/c1-3-20-17-31-28(39-20)33-27(37)19-11-9-18(10-12-19)23-24-25(29)30-13-15-35(24)26(32-23)21-7-4-5-14-34(21)22(36)8-6-16-38-2/h6,8-13,15,17,21H,3-5,7,14,16H2,1-2H3,(H2,29,30)(H,31,33,37)/b8-6+/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340137 (US10239883, Example 26 | US10934296, Example 26 | ...) Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2F)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r| Show InChI InChI=1S/C29H30FN7O2/c1-3-7-18-11-12-32-23(16-18)34-29(39)20-10-9-19(17-21(20)30)25-26-27(31)33-13-15-37(26)28(35-25)22-8-5-6-14-36(22)24(38)4-2/h4,9-13,15-17,22H,2-3,5-8,14H2,1H3,(H2,31,33)(H,32,34,39)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340138 (US10239883, Example 27 | US10934296, Example 27 | ...) Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2OC)-c2nc([C@@H]3CCCCN3C(=O)\C=C\CN(C)C)n3ccnc(N)c23)c1 |r| Show InChI InChI=1S/C33H40N8O3/c1-5-9-22-14-15-35-27(20-22)37-33(43)24-13-12-23(21-26(24)44-4)29-30-31(34)36-16-19-41(30)32(38-29)25-10-6-7-18-40(25)28(42)11-8-17-39(2)3/h8,11-16,19-21,25H,5-7,9-10,17-18H2,1-4H3,(H2,34,36)(H,35,37,43)/b11-8+/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340139 (US10239883, Example 28 | US10934296, Example 28 | ...) Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2C)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H27N7O2/c1-3-8-23(36)34-15-7-5-9-21(34)27-33-24(25-26(29)31-14-16-35(25)27)20-12-11-19(17-18(20)2)28(37)32-22-10-4-6-13-30-22/h4,6,10-14,16-17,21H,5,7,9,15H2,1-2H3,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340140 (US10239883, Example 29 | US10934296, Example 29 | ...) Show SMILES Nc1nccn2c(CNC(=O)C=C)nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12 Show InChI InChI=1S/C22H19N7O2/c1-2-18(30)26-13-17-28-19(20-21(23)25-11-12-29(17)20)14-6-8-15(9-7-14)22(31)27-16-5-3-4-10-24-16/h2-12H,1,13H2,(H2,23,25)(H,26,30)(H,24,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340141 (US10239883, Example 30 | US10934296, Example 30 | ...) Show SMILES CC#CC(=O)N[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C24H21N7O2/c1-3-6-19(32)28-15(2)23-30-20(21-22(25)27-13-14-31(21)23)16-8-10-17(11-9-16)24(33)29-18-7-4-5-12-26-18/h4-5,7-15H,1-2H3,(H2,25,27)(H,28,32)(H,26,29,33)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340142 (US10239883, Example 31 | US10934296, Example 31 | ...) Show SMILES CC(=O)SCC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H25N7O3S/c1-16(34)37-15-21(35)32-13-4-5-19(32)25-31-22(23-24(27)29-12-14-33(23)25)17-7-9-18(10-8-17)26(36)30-20-6-2-3-11-28-20/h2-3,6-12,14,19H,4-5,13,15H2,1H3,(H2,27,29)(H,28,30,36)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340143 (US10239883, Example 32 | US10934296, Example 32 | ...) Show SMILES CC(C)(O)C#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H27N7O3/c1-28(2,38)13-12-22(36)34-16-5-6-20(34)26-33-23(24-25(29)31-15-17-35(24)26)18-8-10-19(11-9-18)27(37)32-21-7-3-4-14-30-21/h3-4,7-11,14-15,17,20,38H,5-6,16H2,1-2H3,(H2,29,31)(H,30,32,37)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340144 ((S)-4-(8-Amino-3-(1-(6-chloropyrimidine-4-carbonyl...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)c1cc(Cl)ncn1 |r| Show InChI InChI=1S/C27H22ClN9O2/c28-20-14-18(32-15-33-20)27(39)36-12-3-4-19(36)25-35-22(23-24(29)31-11-13-37(23)25)16-6-8-17(9-7-16)26(38)34-21-5-1-2-10-30-21/h1-2,5-11,13-15,19H,3-4,12H2,(H2,29,31)(H,30,34,38)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340145 (US10239883, Example 34 | US10934296, Example 34 | ...) Show SMILES CCC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25N7O2/c1-2-3-9-22(35)33-16-6-7-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-8-4-5-14-29-21/h4-5,8,10-15,17,20H,2,6-7,16H2,1H3,(H2,28,30)(H,29,31,36)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340146 (US10239883, Example 35 | US10934296, Example 35 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C28H25N7O2/c29-26-25-24(19-9-11-20(12-10-19)28(37)32-22-5-1-2-14-30-22)33-27(35(25)17-15-31-26)21-4-3-16-34(21)23(36)13-8-18-6-7-18/h1-2,5,9-12,14-15,17-18,21H,3-4,6-7,16H2,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340147 (US10239883, Example 36 | US10934296, Example 36 | ...) Show SMILES CCCC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H27N7O2/c1-2-3-4-10-23(36)34-17-7-8-21(34)27-33-24(25-26(29)31-16-18-35(25)27)19-11-13-20(14-12-19)28(37)32-22-9-5-6-15-30-22/h5-6,9,11-16,18,21H,2-3,7-8,17H2,1H3,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340148 (US10239883, Example 37 | US10934296, Example 37 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C Show InChI InChI=1S/C27H27N7O2/c1-2-22(35)33-16-7-3-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-5-6-14-29-21/h2,5-6,9-15,17,20H,1,3-4,7-8,16H2,(H2,28,30)(H,29,31,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340149 (US10239883, Example 38 | US10934296, Example 38 | ...) Show SMILES CC#CC(=O)N1CCOC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H23N7O3/c1-2-5-21(34)32-14-15-36-16-19(32)25-31-22(23-24(27)29-12-13-33(23)25)17-7-9-18(10-8-17)26(35)30-20-6-3-4-11-28-20/h3-4,6-13,19H,14-16H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340150 (US10239883, Example 39 | US10934296, Example 39 | ...) Show SMILES CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H22F3N7O2/c1-4-5-20(37)35(3)15(2)24-34-21(22-23(30)32-12-13-36(22)24)16-6-8-17(9-7-16)25(38)33-19-14-18(10-11-31-19)26(27,28)29/h6-15H,1-3H3,(H2,30,32)(H,31,33,38)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340087 (US10934296, Example 40 | US9758524, Example 40) Show SMILES CN(C)CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H28N8O2/c1-34(2)16-6-9-23(37)35-17-5-7-21(35)27-33-24(25-26(29)31-15-18-36(25)27)19-10-12-20(13-11-19)28(38)32-22-8-3-4-14-30-22/h3-4,8,10-15,18,21H,5,7,16-17H2,1-2H3,(H2,29,31)(H,30,32,38)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340088 (US10239883, Example 41 | US10934296, Example 41 | ...) Show SMILES COCC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25N7O3/c1-37-17-5-8-22(35)33-15-4-6-20(33)26-32-23(24-25(28)30-14-16-34(24)26)18-9-11-19(12-10-18)27(36)31-21-7-2-3-13-29-21/h2-3,7,9-14,16,20H,4,6,15,17H2,1H3,(H2,28,30)(H,29,31,36)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340151 ((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(F)ccn3)c12)[C@@H]1CCCN1C(=O)C=C |r| Show InChI InChI=1S/C25H22FN7O2/c1-2-20(34)32-12-3-4-18(32)24-31-21(22-23(27)29-11-13-33(22)24)15-5-7-16(8-6-15)25(35)30-19-14-17(26)9-10-28-19/h2,5-11,13-14,18H,1,3-4,12H2,(H2,27,29)(H,28,30,35)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340152 ((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)N3CCCC3)c12)[C@@H]1CCCN1C(=O)C=C |r| Show InChI InChI=1S/C29H30N8O2/c1-2-24(38)36-16-5-6-22(36)28-34-25(26-27(30)32-13-17-37(26)28)19-7-9-20(10-8-19)29(39)33-23-18-21(11-12-31-23)35-14-3-4-15-35/h2,7-13,17-18,22H,1,3-6,14-16H2,(H2,30,32)(H,31,33,39)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340153 ((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...) Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H24FN7O2/c1-2-5-22(36)34-14-4-3-6-20(34)26-33-23(24-25(29)31-13-15-35(24)26)17-7-9-18(10-8-17)27(37)32-21-16-19(28)11-12-30-21/h7-13,15-16,20H,3-4,6,14H2,1H3,(H2,29,31)(H,30,32,37)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340154 ((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...) Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25N7O2/c1-2-7-22(35)33-16-6-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-3-5-14-29-21/h3,5,9-15,17,20H,4,6,8,16H2,1H3,(H2,28,30)(H,29,31,36)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340155 ((S)-4-(3-(1-acryloylpiperidin-2-yl)-8- aminoimidaz...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCCN1C(=O)C=C |r| Show InChI InChI=1S/C26H25N7O2/c1-2-21(34)32-15-6-4-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-5-13-28-20/h2-3,5,8-14,16,19H,1,4,6-7,15H2,(H2,27,29)(H,28,30,35)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340156 ((S)-4-(8-amino-3-(1-but-2- ynoylpyrrolidin-2-yl)im...) Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r| Show InChI InChI=1S/C29H29N7O2/c1-3-6-19-13-14-31-23(18-19)33-29(38)21-11-9-20(10-12-21)25-26-27(30)32-15-17-36(26)28(34-25)22-8-5-16-35(22)24(37)7-4-2/h9-15,17-18,22H,3,5-6,8,16H2,1-2H3,(H2,30,32)(H,31,33,38)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340157 ((S,E)-4-(8-amino-3-(1-(4-methoxy- N-methylbut-2- e...) Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H](C)N(C)C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r| Show InChI InChI=1S/C29H33N7O3/c1-5-7-20-13-14-31-23(18-20)33-29(38)22-11-9-21(10-12-22)25-26-27(30)32-15-16-36(26)28(34-25)19(2)35(3)24(37)8-6-17-39-4/h6,8-16,18-19H,5,7,17H2,1-4H3,(H2,30,32)(H,31,33,38)/b8-6+/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...				US Patent US9758524 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DPQ
					More data for this Ligand-Target Pair

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