Compile Data Set for Download or QSAR

Found 10 hits of ic50 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/SH2 domain-containing adapter protein B (Homo sapiens (Human))	BDBM93191 (Src SH2 inhibitor, 1f) Show SMILES CC(NC(=O)C(CC1=CC=C(CC1)OP(O)(O)=O)NC(C)=O)c1ccc(OC(CC=C)CC=C)c(c1)C(N)=O |c:9,t:7| Show InChI InChI=1S/C27H36N3O8P/c1-5-7-21(8-6-2)37-25-14-11-20(16-23(25)26(28)32)17(3)29-27(33)24(30-18(4)31)15-19-9-12-22(13-10-19)38-39(34,35)36/h5-6,9,11-12,14,16-17,21,24H,1-2,7-8,10,13,15H2,3-4H3,(H2,28,32)(H,29,33)(H,30,31)(H2,34,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc.					Assay Description Compounds were tested for binding to Src SH2 using a fluorescence polarization binding assay according to methods previously described. IC50 values ...				J Comb Chem 2: 305-13 (2000) Article DOI: 10.1021/cc990074a BindingDB Entry DOI: 10.7270/Q2CZ35S6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src/SH2 domain-containing adapter protein B (Homo sapiens (Human))	BDBM93186 (Src SH2 inhibitor, 1a) Show SMILES CC(NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1ccc(OCC2CCCCC2)c(c1)C(N)=O Show InChI InChI=1S/C27H36N3O8P/c1-17(21-10-13-25(23(15-21)26(28)32)37-16-20-6-4-3-5-7-20)29-27(33)24(30-18(2)31)14-19-8-11-22(12-9-19)38-39(34,35)36/h8-13,15,17,20,24H,3-7,14,16H2,1-2H3,(H2,28,32)(H,29,33)(H,30,31)(H2,34,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc.					Assay Description Compounds were tested for binding to Src SH2 using a fluorescence polarization binding assay according to methods previously described. IC50 values ...				J Comb Chem 2: 305-13 (2000) Article DOI: 10.1021/cc990074a BindingDB Entry DOI: 10.7270/Q2CZ35S6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src/SH2 domain-containing adapter protein B (Homo sapiens (Human))	BDBM93190 (Src SH2 inhibitor, 1e) Show SMILES CC(NC(=O)C(CC1=CC=C(CC1)OP(O)(O)=O)NC(C)=O)c1ccc(OC2CCCCC2)c(c1)C(N)=O |c:9,t:7| Show InChI InChI=1S/C26H36N3O8P/c1-16(19-10-13-24(22(15-19)25(27)31)36-20-6-4-3-5-7-20)28-26(32)23(29-17(2)30)14-18-8-11-21(12-9-18)37-38(33,34)35/h8,10-11,13,15-16,20,23H,3-7,9,12,14H2,1-2H3,(H2,27,31)(H,28,32)(H,29,30)(H2,33,34,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc.					Assay Description Compounds were tested for binding to Src SH2 using a fluorescence polarization binding assay according to methods previously described. IC50 values ...				J Comb Chem 2: 305-13 (2000) Article DOI: 10.1021/cc990074a BindingDB Entry DOI: 10.7270/Q2CZ35S6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src/SH2 domain-containing adapter protein B (Homo sapiens (Human))	BDBM93192 (Src SH2 inhibitor, 1g) Show SMILES CC(NC(=O)C(CC1=CC=C(CC1)OP(O)(O)=O)NC(C)=O)c1ccc(OCCCc2ccccc2)c(c1)C(N)=O |c:9,t:7| Show InChI InChI=1S/C29H36N3O8P/c1-19(23-12-15-27(25(18-23)28(30)34)39-16-6-9-21-7-4-3-5-8-21)31-29(35)26(32-20(2)33)17-22-10-13-24(14-11-22)40-41(36,37)38/h3-5,7-8,10,12-13,15,18-19,26H,6,9,11,14,16-17H2,1-2H3,(H2,30,34)(H,31,35)(H,32,33)(H2,36,37,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc.					Assay Description Compounds were tested for binding to Src SH2 using a fluorescence polarization binding assay according to methods previously described. IC50 values ...				J Comb Chem 2: 305-13 (2000) Article DOI: 10.1021/cc990074a BindingDB Entry DOI: 10.7270/Q2CZ35S6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src/SH2 domain-containing adapter protein B (Homo sapiens (Human))	BDBM93194 (Src SH2 inhibitor, 3) Show SMILES NC(=O)c1cc(CNC(=O)c2ccc(OP(O)(O)=O)cc2)ccc1OCC1CCCCC1 Show InChI InChI=1S/C22H27N2O7P/c23-21(25)19-12-16(6-11-20(19)30-14-15-4-2-1-3-5-15)13-24-22(26)17-7-9-18(10-8-17)31-32(27,28)29/h6-12,15H,1-5,13-14H2,(H2,23,25)(H,24,26)(H2,27,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc.					Assay Description Compounds were tested for binding to Src SH2 using a fluorescence polarization binding assay according to methods previously described. IC50 values ...				J Comb Chem 2: 305-13 (2000) Article DOI: 10.1021/cc990074a BindingDB Entry DOI: 10.7270/Q2CZ35S6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src/SH2 domain-containing adapter protein B (Homo sapiens (Human))	BDBM93189 (Src SH2 inhibitor, 1d) Show SMILES CC(C)Oc1ccc(cc1C(N)=O)C(C)NC(=O)C(CC1=CC=C(CC1)OP(O)(O)=O)NC(C)=O |c:23,t:21| Show InChI InChI=1S/C23H32N3O8P/c1-13(2)33-21-10-7-17(12-19(21)22(24)28)14(3)25-23(29)20(26-15(4)27)11-16-5-8-18(9-6-16)34-35(30,31)32/h5,7-8,10,12-14,20H,6,9,11H2,1-4H3,(H2,24,28)(H,25,29)(H,26,27)(H2,30,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc.					Assay Description Compounds were tested for binding to Src SH2 using a fluorescence polarization binding assay according to methods previously described. IC50 values ...				J Comb Chem 2: 305-13 (2000) Article DOI: 10.1021/cc990074a BindingDB Entry DOI: 10.7270/Q2CZ35S6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src/SH2 domain-containing adapter protein B (Homo sapiens (Human))	BDBM93188 (Src SH2 inhibitor, 1c) Show SMILES CCOc1ccc(cc1C(N)=O)C(C)NC(=O)C(CC1=CC=C(CC1)OP(O)(O)=O)NC(C)=O |c:22,t:20| Show InChI InChI=1S/C22H30N3O8P/c1-4-32-20-10-7-16(12-18(20)21(23)27)13(2)24-22(28)19(25-14(3)26)11-15-5-8-17(9-6-15)33-34(29,30)31/h5,7-8,10,12-13,19H,4,6,9,11H2,1-3H3,(H2,23,27)(H,24,28)(H,25,26)(H2,29,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc.					Assay Description Compounds were tested for binding to Src SH2 using a fluorescence polarization binding assay according to methods previously described. IC50 values ...				J Comb Chem 2: 305-13 (2000) Article DOI: 10.1021/cc990074a BindingDB Entry DOI: 10.7270/Q2CZ35S6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src/SH2 domain-containing adapter protein B (Homo sapiens (Human))	BDBM93187 (Src SH2 inhibitor, 1b) Show SMILES COc1ccc(cc1C(N)=O)C(C)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O Show InChI InChI=1S/C21H26N3O8P/c1-12(15-6-9-19(31-3)17(11-15)20(22)26)23-21(27)18(24-13(2)25)10-14-4-7-16(8-5-14)32-33(28,29)30/h4-9,11-12,18H,10H2,1-3H3,(H2,22,26)(H,23,27)(H,24,25)(H2,28,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc.					Assay Description Compounds were tested for binding to Src SH2 using a fluorescence polarization binding assay according to methods previously described. IC50 values ...				J Comb Chem 2: 305-13 (2000) Article DOI: 10.1021/cc990074a BindingDB Entry DOI: 10.7270/Q2CZ35S6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src/SH2 domain-containing adapter protein B (Homo sapiens (Human))	BDBM93195 (Src SH2 inhibitor, 4) Show SMILES OP(O)(=O)Oc1ccc(cc1)C(=O)NCc1ccc(OCC2CCCCC2)cc1 Show InChI InChI=1S/C21H26NO6P/c23-21(18-8-12-20(13-9-18)28-29(24,25)26)22-14-16-6-10-19(11-7-16)27-15-17-4-2-1-3-5-17/h6-13,17H,1-5,14-15H2,(H,22,23)(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc.					Assay Description Compounds were tested for binding to Src SH2 using a fluorescence polarization binding assay according to methods previously described. IC50 values ...				J Comb Chem 2: 305-13 (2000) Article DOI: 10.1021/cc990074a BindingDB Entry DOI: 10.7270/Q2CZ35S6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src/SH2 domain-containing adapter protein B (Homo sapiens (Human))	BDBM93193 (Src SH2 inhibitor, 1h) Show SMILES CC(NC(=O)C(CC1=CC=C(CC1)OP(O)(O)=O)NC(C)=O)c1ccc(OCCN2CCOCC2)c(c1)C(N)=O |c:9,t:7| Show InChI InChI=1S/C26H37N4O9P/c1-17(20-5-8-24(22(16-20)25(27)32)38-14-11-30-9-12-37-13-10-30)28-26(33)23(29-18(2)31)15-19-3-6-21(7-4-19)39-40(34,35)36/h3,5-6,8,16-17,23H,4,7,9-15H2,1-2H3,(H2,27,32)(H,28,33)(H,29,31)(H2,34,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc.					Assay Description Compounds were tested for binding to Src SH2 using a fluorescence polarization binding assay according to methods previously described. IC50 values ...				J Comb Chem 2: 305-13 (2000) Article DOI: 10.1021/cc990074a BindingDB Entry DOI: 10.7270/Q2CZ35S6
					More data for this Ligand-Target Pair