Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'knecht' 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
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50192018 (CHEMBL3350037) Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)[C@@H](C)O)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O |r| Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity for SSTR2 receptors of rat cortex membranes was determined by using [125I][Tyr3]-octreotide radioligand				Bioorg Med Chem Lett 8: 1207-10 (1999) BindingDB Entry DOI: 10.7270/Q2DB834V
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50215551 (CHEMBL410194) Show SMILES [H][C@@]1(NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O Show InChI InChI=1S/C70H98N14O21S2/c1-41(85)59-67(101)78-54(66(100)80-60(42(2)86)68(102)103)40-107-106-39-53(77-62(96)50(31-43-13-7-6-8-14-43)73-55(88)35-81-23-25-82(36-56(89)90)27-29-84(38-58(93)94)30-28-83(26-24-81)37-57(91)92)65(99)75-51(32-44-18-20-46(87)21-19-44)63(97)76-52(33-45-34-72-48-16-10-9-15-47(45)48)64(98)74-49(61(95)79-59)17-11-12-22-71-69(104)105-70(3,4)5/h6-10,13-16,18-21,34,41-42,49-54,59-60,72,85-87H,11-12,17,22-33,35-40H2,1-5H3,(H,71,104)(H,73,88)(H,74,98)(H,75,99)(H,76,97)(H,77,96)(H,78,101)(H,79,95)(H,80,100)(H,89,90)(H,91,92)(H,93,94)(H,102,103)/t41-,42-,49+,50-,51+,52+,53+,54-,59-,60+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity for SSTR2 receptors of rat cortex membranes was determined by using [125I][Tyr3]-octreotide radioligand				Bioorg Med Chem Lett 8: 1207-10 (1999) BindingDB Entry DOI: 10.7270/Q2DB834V
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50215550 (CHEMBL407643) Show SMILES [H][C@@]1(NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O Show InChI InChI=1S/C70H98N14O20S2/c1-42(85)59-67(100)78-54(66(99)80-60(43(2)86)68(101)102)41-106-105-40-53(77-62(95)50(32-44-16-8-6-9-17-44)73-55(87)36-81-24-26-82(37-56(88)89)28-30-84(39-58(92)93)31-29-83(27-25-81)38-57(90)91)65(98)75-51(33-45-18-10-7-11-19-45)63(96)76-52(34-46-35-72-48-21-13-12-20-47(46)48)64(97)74-49(61(94)79-59)22-14-15-23-71-69(103)104-70(3,4)5/h6-13,16-21,35,42-43,49-54,59-60,72,85-86H,14-15,22-34,36-41H2,1-5H3,(H,71,103)(H,73,87)(H,74,97)(H,75,98)(H,76,96)(H,77,95)(H,78,100)(H,79,94)(H,80,99)(H,88,89)(H,90,91)(H,92,93)(H,101,102)/t42-,43-,49+,50-,51+,52+,53+,54-,59-,60+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity for SSTR2 receptors of rat cortex membranes was determined by using [125I][Tyr3]-octreotide radioligand				Bioorg Med Chem Lett 8: 1207-10 (1999) BindingDB Entry DOI: 10.7270/Q2DB834V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097967 (3-(4-amino-7-(1-(2-hydroxyethyl)piperidin-4-yl)-7H...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCN(CCO)CC1 Show InChI InChI=1S/C19H23N5O2/c20-18-17-16(13-2-1-3-15(26)10-13)11-24(19(17)22-12-21-18)14-4-6-23(7-5-14)8-9-25/h1-3,10-12,14,25-26H,4-9H2,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50192018 (CHEMBL3350037) Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)[C@@H](C)O)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O |r| Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity for SSTR2 receptors of rat cortex membranes was determined by using Y-labelled SMT487 radioligand				Bioorg Med Chem Lett 8: 1207-10 (1999) BindingDB Entry DOI: 10.7270/Q2DB834V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097971 (CHEMBL262276 | methyl 2-(4-(4-amino-5-(3-hydroxyph...) Show SMILES COC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C20H23N5O3/c1-28-17(27)11-24-7-5-14(6-8-24)25-10-16(13-3-2-4-15(26)9-13)18-19(21)22-12-23-20(18)25/h2-4,9-10,12,14,26H,5-8,11H2,1H3,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097979 (2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES NC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H22N6O2/c20-16(27)10-24-6-4-13(5-7-24)25-9-15(12-2-1-3-14(26)8-12)17-18(21)22-11-23-19(17)25/h1-3,8-9,11,13,26H,4-7,10H2,(H2,20,27)(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097958 (2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES CN(C)C(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C21H26N6O2/c1-25(2)18(29)12-26-8-6-15(7-9-26)27-11-17(14-4-3-5-16(28)10-14)19-20(22)23-13-24-21(19)27/h3-5,10-11,13,15,28H,6-9,12H2,1-2H3,(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097991 (CHEMBL355019 | {3-[4-Amino-5-(3-hydroxy-phenyl)-py...) Show SMILES COC(=O)CN1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H21N5O3/c1-27-16(26)10-23-6-5-13(8-23)24-9-15(12-3-2-4-14(25)7-12)17-18(20)21-11-22-19(17)24/h2-4,7,9,11,13,25H,5-6,8,10H2,1H3,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097962 (2-{3-[4-Amino-5-(3-hydroxy-phenyl)-pyrrolo[2,3-d]p...) Show SMILES NC(=O)CN1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C18H20N6O2/c19-15(26)9-23-5-4-12(7-23)24-8-14(11-2-1-3-13(25)6-11)16-17(20)21-10-22-18(16)24/h1-3,6,8,10,12,25H,4-5,7,9H2,(H2,19,26)(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097968 (3-[4-Amino-5-(3-hydroxy-phenyl)-pyrrolo[2,3-d]pyri...) Show SMILES CC(C)(C)OC(=O)N1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C21H25N5O3/c1-21(2,3)29-20(28)25-8-7-14(10-25)26-11-16(13-5-4-6-15(27)9-13)17-18(22)23-12-24-19(17)26/h4-6,9,11-12,14,27H,7-8,10H2,1-3H3,(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097986 (CHEMBL169939 | {(R)-4-[(S)-4-Amino-5-(4-hydroxy-ph...) Show SMILES CCOC(=O)C[C@H]1C[C@H](CN1)n1cc(-c2ccc(O)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C20H23N5O3/c1-2-28-17(27)8-13-7-14(9-22-13)25-10-16(12-3-5-15(26)6-4-12)18-19(21)23-11-24-20(18)25/h3-6,10-11,13-14,22,26H,2,7-9H2,1H3,(H2,21,23,24)/t13-,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097974 (2-((2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2...) Show SMILES COc1cccc(c1)-c1cn(C2CCN(CCN(C)CCO)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C23H32N6O2/c1-27(12-13-30)10-11-28-8-6-18(7-9-28)29-15-20(17-4-3-5-19(14-17)31-2)21-22(24)25-16-26-23(21)29/h3-5,14-16,18,30H,6-13H2,1-2H3,(H2,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097972 (3-(4-Amino-7-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyri...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCNC1 Show InChI InChI=1S/C16H17N5O/c17-15-14-13(10-2-1-3-12(22)6-10)8-21(11-4-5-18-7-11)16(14)20-9-19-15/h1-3,6,8-9,11,18,22H,4-5,7H2,(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097970 (3-[4-Amino-5-(4-hydroxy-phenyl)-pyrrolo[2,3-d]pyri...) Show SMILES CC(C)(C)OC(=O)N1CCC(C1)n1cc(-c2ccc(O)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C21H25N5O3/c1-21(2,3)29-20(28)25-9-8-14(10-25)26-11-16(13-4-6-15(27)7-5-13)17-18(22)23-12-24-19(17)26/h4-7,11-12,14,27H,8-10H2,1-3H3,(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097959 (7-{1-[2-(2-Methoxy-ethylamino)-ethyl]-piperidin-4-...) Show SMILES COCCNCCN1CCC(CC1)n1cc(-c2cccc(OC)c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H32N6O2/c1-30-13-9-25-8-12-28-10-6-18(7-11-28)29-15-20(17-4-3-5-19(14-17)31-2)21-22(24)26-16-27-23(21)29/h3-5,14-16,18,25H,6-13H2,1-2H3,(H2,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097976 (CHEMBL352829 | [(R)-4-((S)-4-Amino-5-phenyl-pyrrol...) Show SMILES CCOC(=O)C[C@H]1C[C@H](CN1)n1cc(-c2ccccc2)c2c(N)ncnc12 Show InChI InChI=1S/C20H23N5O2/c1-2-27-17(26)9-14-8-15(10-22-14)25-11-16(13-6-4-3-5-7-13)18-19(21)23-12-24-20(18)25/h3-7,11-12,14-15,22H,2,8-10H2,1H3,(H2,21,23,24)/t14-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097964 (2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES COc1cccc(c1)-c1cn(C2CCN(CC(N)=O)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C20H24N6O2/c1-28-15-4-2-3-13(9-15)16-10-26(20-18(16)19(22)23-12-24-20)14-5-7-25(8-6-14)11-17(21)27/h2-4,9-10,12,14H,5-8,11H2,1H3,(H2,21,27)(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097965 ((R)-4-[(R)-4-Amino-5-(4-hydroxy-phenyl)-pyrrolo[2,...) Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@@H]1CO)n1cc(-c2ccc(O)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C22H27N5O4/c1-22(2,3)31-21(30)27-9-14(8-15(27)11-28)26-10-17(13-4-6-16(29)7-5-13)18-19(23)24-12-25-20(18)26/h4-7,10,12,14-15,28-29H,8-9,11H2,1-3H3,(H2,23,24,25)/t14-,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097973 (2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES COc1cccc(c1)-c1cn(C2CCN(CCO)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C20H25N5O2/c1-27-16-4-2-3-14(11-16)17-12-25(20-18(17)19(21)22-13-23-20)15-5-7-24(8-6-15)9-10-26/h2-4,11-13,15,26H,5-10H2,1H3,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097988 ((R)-4-[(R)-4-Amino-5-(4-hydroxy-phenyl)-pyrrolo[2,...) Show SMILES CCOC(=O)C[C@H]1C[C@@H](CN1C(=O)OC(C)(C)C)n1cc(-c2ccc(O)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C25H31N5O5/c1-5-34-20(32)11-16-10-17(12-30(16)24(33)35-25(2,3)4)29-13-19(15-6-8-18(31)9-7-15)21-22(26)27-14-28-23(21)29/h6-9,13-14,16-17,31H,5,10-12H2,1-4H3,(H2,26,27,28)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097978 (4-(4-Amino-7-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyri...) Show SMILES Nc1ncnc2n(cc(-c3ccc(O)cc3)c12)C1CCNC1 Show InChI InChI=1S/C16H17N5O/c17-15-14-13(10-1-3-12(22)4-2-10)8-21(11-5-6-18-7-11)16(14)20-9-19-15/h1-4,8-9,11,18,22H,5-7H2,(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097960 (2-{3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]p...) Show SMILES COc1cccc(c1)-c1cn(C2CCN(CC(N)=O)C2)c2ncnc(N)c12 Show InChI InChI=1S/C19H22N6O2/c1-27-14-4-2-3-12(7-14)15-9-25(19-17(15)18(21)22-11-23-19)13-5-6-24(8-13)10-16(20)26/h2-4,7,9,11,13H,5-6,8,10H2,1H3,(H2,20,26)(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097963 (7-(1-(2-((2-methoxyethyl)(methyl)amino)ethyl)piper...) Show SMILES COCCN(C)CCN1CCC(CC1)n1cc(-c2cccc(OC)c2)c2c(N)ncnc12 Show InChI InChI=1S/C24H34N6O2/c1-28(13-14-31-2)11-12-29-9-7-19(8-10-29)30-16-21(18-5-4-6-20(15-18)32-3)22-23(25)26-17-27-24(22)30/h4-6,15-17,19H,7-14H2,1-3H3,(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097982 (4-[(S)-4-Amino-7-((R)-5-hydroxymethyl-pyrrolidin-3...) Show SMILES Nc1ncnc2n(cc(-c3ccc(O)cc3)c12)[C@H]1CN[C@@H](CO)C1 Show InChI InChI=1S/C17H19N5O2/c18-16-15-14(10-1-3-13(24)4-2-10)7-22(17(15)21-9-20-16)12-5-11(8-23)19-6-12/h1-4,7,9,11-12,19,23-24H,5-6,8H2,(H2,18,20,21)/t11-,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097989 (CHEMBL355891 | {3-[4-Amino-5-(3-methoxy-phenyl)-py...) Show SMILES COC(=O)CN1CCC(C1)n1cc(-c2cccc(OC)c2)c2c(N)ncnc12 Show InChI InChI=1S/C20H23N5O3/c1-27-15-5-3-4-13(8-15)16-10-25(20-18(16)19(21)22-12-23-20)14-6-7-24(9-14)11-17(26)28-2/h3-5,8,10,12,14H,6-7,9,11H2,1-2H3,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097987 (5-(3-Methoxy-phenyl)-7-pyrrolidin-3-yl-7H-pyrrolo[...) Show SMILES COc1cccc(c1)-c1cn(C2CCNC2)c2ncnc(N)c12 Show InChI InChI=1S/C17H19N5O/c1-23-13-4-2-3-11(7-13)14-9-22(12-5-6-19-8-12)17-15(14)16(18)20-10-21-17/h2-4,7,9-10,12,19H,5-6,8H2,1H3,(H2,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097991 (CHEMBL355019 | {3-[4-Amino-5-(3-hydroxy-phenyl)-py...) Show SMILES COC(=O)CN1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H21N5O3/c1-27-16(26)10-23-6-5-13(8-23)24-9-15(12-3-2-4-14(25)7-12)17-18(20)21-11-22-19(17)24/h2-4,7,9,11,13,25H,5-6,8,10H2,1H3,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097971 (CHEMBL262276 | methyl 2-(4-(4-amino-5-(3-hydroxyph...) Show SMILES COC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C20H23N5O3/c1-28-17(27)11-24-7-5-14(6-8-24)25-10-16(13-3-2-4-15(26)9-13)18-19(21)22-12-23-20(18)25/h2-4,9-10,12,14,26H,5-8,11H2,1H3,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097968 (3-[4-Amino-5-(3-hydroxy-phenyl)-pyrrolo[2,3-d]pyri...) Show SMILES CC(C)(C)OC(=O)N1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C21H25N5O3/c1-21(2,3)29-20(28)25-8-7-14(10-25)26-11-16(13-5-4-6-15(27)9-13)17-18(22)23-12-24-19(17)26/h4-6,9,11-12,14,27H,7-8,10H2,1-3H3,(H2,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097961 (2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES COc1cccc(c1)-c1cn(C2CCN(CC(=O)N(C)C)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C22H28N6O2/c1-26(2)19(29)13-27-9-7-16(8-10-27)28-12-18(15-5-4-6-17(11-15)30-3)20-21(23)24-14-25-22(20)28/h4-6,11-12,14,16H,7-10,13H2,1-3H3,(H2,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097980 (CHEMBL169065 | methyl 2-(4-(4-amino-5-(3-methoxyph...) Show SMILES COC(=O)CN1CCC(CC1)n1cc(-c2cccc(OC)c2)c2c(N)ncnc12 Show InChI InChI=1S/C21H25N5O3/c1-28-16-5-3-4-14(10-16)17-11-26(21-19(17)20(22)23-13-24-21)15-6-8-25(9-7-15)12-18(27)29-2/h3-5,10-11,13,15H,6-9,12H2,1-2H3,(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097992 (4-[(R)-4-Amino-7-((R)-5-hydroxymethyl-pyrrolidin-3...) Show SMILES Nc1ncnc2n(cc(-c3ccc(O)cc3)c12)[C@@H]1CN[C@@H](CO)C1 Show InChI InChI=1S/C17H19N5O2/c18-16-15-14(10-1-3-13(24)4-2-10)7-22(17(15)21-9-20-16)12-5-11(8-23)19-6-12/h1-4,7,9,11-12,19,23-24H,5-6,8H2,(H2,18,20,21)/t11-,12+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097967 (3-(4-amino-7-(1-(2-hydroxyethyl)piperidin-4-yl)-7H...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCN(CCO)CC1 Show InChI InChI=1S/C19H23N5O2/c20-18-17-16(13-2-1-3-15(26)10-13)11-24(19(17)22-12-21-18)14-4-6-23(7-5-14)8-9-25/h1-3,10-12,14,25-26H,4-9H2,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of epidermal growth factor receptor (EGF-R) by tyrosine kinase enzyme activity				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097998 (CHEMBL170726 | {(R)-4-[(R)-4-Amino-5-(4-hydroxy-ph...) Show SMILES CCOC(=O)C[C@H]1C[C@@H](CN1)n1cc(-c2ccc(O)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C20H23N5O3/c1-2-28-17(27)8-13-7-14(9-22-13)25-10-16(12-3-5-15(26)6-4-12)18-19(21)23-11-24-20(18)25/h3-6,10-11,13-14,22,26H,2,7-9H2,1H3,(H2,21,23,24)/t13-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097958 (2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES CN(C)C(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C21H26N6O2/c1-25(2)18(29)12-26-8-6-15(7-9-26)27-11-17(14-4-3-5-16(28)10-14)19-20(22)23-13-24-21(19)27/h3-5,10-11,13,15,28H,6-9,12H2,1-2H3,(H2,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of v-Abl receptor tyrosine kinase enzyme activity				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097981 ((R)-4-((R)-4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidi...) Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@@H]1CO)n1cc(-c2ccccc2)c2c(N)ncnc12 Show InChI InChI=1S/C22H27N5O3/c1-22(2,3)30-21(29)27-10-15(9-16(27)12-28)26-11-17(14-7-5-4-6-8-14)18-19(23)24-13-25-20(18)26/h4-8,11,13,15-16,28H,9-10,12H2,1-3H3,(H2,23,24,25)/t15-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097996 (CHEMBL168560 | [(R)-4-((S)-4-Amino-5-phenyl-pyrrol...) Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)[C@H]1CN[C@@H](CO)C1 Show InChI InChI=1S/C17H19N5O/c18-16-15-14(11-4-2-1-3-5-11)8-22(17(15)21-10-20-16)13-6-12(9-23)19-7-13/h1-5,8,10,12-13,19,23H,6-7,9H2,(H2,18,20,21)/t12-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097962 (2-{3-[4-Amino-5-(3-hydroxy-phenyl)-pyrrolo[2,3-d]p...) Show SMILES NC(=O)CN1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C18H20N6O2/c19-15(26)9-23-5-4-12(7-23)24-8-14(11-2-1-3-13(25)6-11)16-17(20)21-10-22-18(16)24/h1-3,6,8,10,12,25H,4-5,7,9H2,(H2,19,26)(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of epidermal growth factor receptor (EGF-R) in a cellular assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50097979 (2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES NC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H22N6O2/c20-16(27)10-24-6-4-13(5-7-24)25-9-15(12-2-1-3-14(26)8-12)17-18(21)22-11-23-19(17)25/h1-3,8-9,11,13,26H,4-7,10H2,(H2,20,27)(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of epidermal growth factor receptor (EGF-R) by tyrosine kinase enzyme activity				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097969 (3-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-...) Show SMILES CC(C)(C)OC(=O)N1CCC(C1)n1cc(-c2ccccc2)c2c(N)ncnc12 Show InChI InChI=1S/C21H25N5O2/c1-21(2,3)28-20(27)25-10-9-15(11-25)26-12-16(14-7-5-4-6-8-14)17-18(22)23-13-24-19(17)26/h4-8,12-13,15H,9-11H2,1-3H3,(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50097979 (2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES NC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H22N6O2/c20-16(27)10-24-6-4-13(5-7-24)25-9-15(12-2-1-3-14(26)8-12)17-18(21)22-11-23-19(17)25/h1-3,8-9,11,13,26H,4-7,10H2,(H2,20,27)(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Tested for inhibitory activity against Epidermal growth factor receptor				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM14712 ((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,1H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Immunosuppressive activity of the compound expressed as ability to inhibit human recombinant dihydroorotate dehydrogenase (DHODH)				Bioorg Med Chem Lett 8: 2203-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN65X4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097979 (2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES NC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H22N6O2/c20-16(27)10-24-6-4-13(5-7-24)25-9-15(12-2-1-3-14(26)8-12)17-18(21)22-11-23-19(17)25/h1-3,8-9,11,13,26H,4-7,10H2,(H2,20,27)(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of epidermal growth factor receptor (EGF-R) in a cellular assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097995 (5-Phenyl-7-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimi...) Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)C1CCNC1 Show InChI InChI=1S/C16H17N5/c17-15-14-13(11-4-2-1-3-5-11)9-21(12-6-7-18-8-12)16(14)20-10-19-15/h1-5,9-10,12,18H,6-8H2,(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097959 (7-{1-[2-(2-Methoxy-ethylamino)-ethyl]-piperidin-4-...) Show SMILES COCCNCCN1CCC(CC1)n1cc(-c2cccc(OC)c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H32N6O2/c1-30-13-9-25-8-12-28-10-6-18(7-11-28)29-15-20(17-4-3-5-19(14-17)31-2)21-22(24)26-16-27-23(21)29/h3-5,14-16,18,25H,6-13H2,1-2H3,(H2,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097966 (3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]pyri...) Show SMILES COc1cccc(c1)-c1cn(C2CCN(C2)C(=O)OC(C)(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C22H27N5O3/c1-22(2,3)30-21(28)26-9-8-15(11-26)27-12-17(14-6-5-7-16(10-14)29-4)18-19(23)24-13-25-20(18)27/h5-7,10,12-13,15H,8-9,11H2,1-4H3,(H2,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50097971 (CHEMBL262276 | methyl 2-(4-(4-amino-5-(3-hydroxyph...) Show SMILES COC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C20H23N5O3/c1-28-17(27)11-24-7-5-14(6-8-24)25-10-16(13-3-2-4-15(26)9-13)18-19(21)22-12-23-20(18)25/h2-4,9-10,12,14,26H,5-8,11H2,1H3,(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Tested for inhibitory activity against Epidermal growth factor receptor				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM50097959 (7-{1-[2-(2-Methoxy-ethylamino)-ethyl]-piperidin-4-...) Show SMILES COCCNCCN1CCC(CC1)n1cc(-c2cccc(OC)c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H32N6O2/c1-30-13-9-25-8-12-28-10-6-18(7-11-28)29-15-20(17-4-3-5-19(14-17)31-2)21-22(24)26-16-27-23(21)29/h3-5,14-16,18,25H,6-13H2,1-2H3,(H2,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of c-Src mediated phosphorylation of Fak in IC8.1 fibroblast cell assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097972 (3-(4-Amino-7-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyri...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCNC1 Show InChI InChI=1S/C16H17N5O/c17-15-14-13(10-2-1-3-12(22)6-10)8-21(11-4-5-18-7-11)16(14)20-9-19-15/h1-3,6,8-9,11,18,22H,4-5,7H2,(H2,17,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair

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