Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with all data for entry = 2719   

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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376962 (US10329300, Example 50 | US11696917, Example 50 | ...) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1F Show InChI InChI=1S/C24H26ClFN8O3/c1-4-16(35)33-9-5-6-14(11-33)34-23-18(22(27)28-12-29-23)21(31-34)24(37)30-15-8-7-13(20(26)19(15)25)10-17(36)32(2)3/h4,7-8,12,14H,1,5-6,9-11H2,2-3H3,(H,30,37)(H2,27,28,29)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376933 (US10329300, Example 27 | US11696917, Example 27 | ...) Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1 Show InChI InChI=1S/C23H25ClN8O4/c1-4-17(33)31-9-5-6-13(11-31)32-21-18(20(25)26-12-27-21)19(29-32)22(34)28-16-8-7-14(10-15(16)24)36-23(35)30(2)3/h4,7-8,10,12-13H,1,5-6,9,11H2,2-3H3,(H,28,34)(H2,25,26,27)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376912 (US10329300, Example 6 | US11696917, Example 6 | US...) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1 Show InChI InChI=1S/C24H27ClN8O3/c1-4-18(34)32-9-5-6-15(12-32)33-23-20(22(26)27-13-28-23)21(30-33)24(36)29-17-8-7-14(10-16(17)25)11-19(35)31(2)3/h4,7-8,10,13,15H,1,5-6,9,11-12H2,2-3H3,(H,29,36)(H2,26,27,28)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376924 (US10329300, Example 18 | US11696917, Example 18 | ...) Show SMILES CN(C)C(=O)Cc1cc(Cl)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1F Show InChI InChI=1S/C24H26ClFN8O3/c1-4-18(35)33-7-5-6-14(11-33)34-23-20(22(27)28-12-29-23)21(31-34)24(37)30-17-10-16(26)13(8-15(17)25)9-19(36)32(2)3/h4,8,10,12,14H,1,5-7,9,11H2,2-3H3,(H,30,37)(H2,27,28,29)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376920 (US10329300, Example 14 | US11696917, Example 14 | ...) Show SMILES COc1c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)ccc(CC(=O)N(C)C)c1F Show InChI InChI=1S/C25H29FN8O4/c1-5-17(35)33-10-6-7-15(12-33)34-24-19(23(27)28-13-29-24)21(31-34)25(37)30-16-9-8-14(11-18(36)32(2)3)20(26)22(16)38-4/h5,8-9,13,15H,1,6-7,10-12H2,2-4H3,(H,30,37)(H2,27,28,29)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376988 (US10329300, Example 76 | US11696917, Example 76 | ...) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CC(F)CN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1 Show InChI InChI=1S/C24H26ClFN8O3/c1-4-18(35)33-10-14(26)9-15(11-33)34-23-20(22(27)28-12-29-23)21(31-34)24(37)30-17-6-5-13(7-16(17)25)8-19(36)32(2)3/h4-7,12,14-15H,1,8-11H2,2-3H3,(H,30,37)(H2,27,28,29)/t14?,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376948 (US10329300, Example 36 | US11696917, Example 36 | ...) Show SMILES COc1cc(OC(=O)N(C)C)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C24H28N8O5/c1-5-18(33)31-10-6-7-14(12-31)32-22-19(21(25)26-13-27-22)20(29-32)23(34)28-16-9-8-15(11-17(16)36-4)37-24(35)30(2)3/h5,8-9,11,13-14H,1,6-7,10,12H2,2-4H3,(H,28,34)(H2,25,26,27)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376923 (US10329300, Example 17 | US11696917, Example 17 | ...) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Br)c1 Show InChI InChI=1S/C24H27BrN8O3/c1-4-18(34)32-9-5-6-15(12-32)33-23-20(22(26)27-13-28-23)21(30-33)24(36)29-17-8-7-14(10-16(17)25)11-19(35)31(2)3/h4,7-8,10,13,15H,1,5-6,9,11-12H2,2-3H3,(H,29,36)(H2,26,27,28)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376945 ((R)-4-(1-(1-acryloylpiperidin-3-yl)-4-amino-1H-pyr...) Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12 Show InChI InChI=1S/C27H28N8O4/c1-4-21(36)34-13-7-8-16(14-34)35-25-22(24(28)29-15-30-25)23(32-35)26(37)31-19-11-12-20(39-27(38)33(2)3)18-10-6-5-9-17(18)19/h4-6,9-12,15-16H,1,7-8,13-14H2,2-3H3,(H,31,37)(H2,28,29,30)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376941 (US10329300, Example 29 | US11696917, Example 29 | ...) Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl Show InChI InChI=1S/C23H25ClN8O4/c1-4-17(33)31-9-5-6-14(11-31)32-21-18(20(25)26-12-27-21)19(29-32)22(34)28-13-7-8-16(15(24)10-13)36-23(35)30(2)3/h4,7-8,10,12,14H,1,5-6,9,11H2,2-3H3,(H,28,34)(H2,25,26,27)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376932 (US10329300, Example 26 | US11696917, Example 26 | ...) Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1 Show InChI InChI=1S/C24H28N8O4/c1-5-18(33)31-10-6-7-15(12-31)32-22-19(21(25)26-13-27-22)20(29-32)23(34)28-17-9-8-16(11-14(17)2)36-24(35)30(3)4/h5,8-9,11,13,15H,1,6-7,10,12H2,2-4H3,(H,28,34)(H2,25,26,27)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376909 (US10329300, Example 3 | US9920060, 3) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1C Show InChI InChI=1S/C25H29ClN8O3/c1-5-18(35)33-10-6-7-16(12-33)34-24-20(23(27)28-13-29-24)22(31-34)25(37)30-17-9-8-15(14(2)21(17)26)11-19(36)32(3)4/h5,8-9,13,16H,1,6-7,10-12H2,2-4H3,(H,30,37)(H2,27,28,29)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376913 (US10329300, Example 7 | US11696917, Example 7 | US...) Show SMILES COc1cc(CC(=O)N(C)C)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N8O4/c1-5-19(34)32-10-6-7-16(13-32)33-24-21(23(26)27-14-28-24)22(30-33)25(36)29-17-9-8-15(11-18(17)37-4)12-20(35)31(2)3/h5,8-9,11,14,16H,1,6-7,10,12-13H2,2-4H3,(H,29,36)(H2,26,27,28)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376918 (US10329300, Example 12 | US11696917, Example 12 | ...) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1F Show InChI InChI=1S/C25H29FN8O3/c1-5-18(35)33-10-6-7-16(12-33)34-24-20(23(27)28-13-29-24)22(31-34)25(37)30-17-9-8-15(21(26)14(17)2)11-19(36)32(3)4/h5,8-9,13,16H,1,6-7,10-12H2,2-4H3,(H,30,37)(H2,27,28,29)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376917 (US10329300, Example 11 | US11696917, Example 11 | ...) Show SMILES COc1c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)ccc(CC(=O)N(C)C)c1Cl Show InChI InChI=1S/C25H29ClN8O4/c1-5-17(35)33-10-6-7-15(12-33)34-24-19(23(27)28-13-29-24)21(31-34)25(37)30-16-9-8-14(11-18(36)32(2)3)20(26)22(16)38-4/h5,8-9,13,15H,1,6-7,10-12H2,2-4H3,(H,30,37)(H2,27,28,29)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376980 ((R)-4-(1-(1-acryloylpyrimidin-3-yl)-4-amino-1H-pyr...) Show SMILES CN(C(=O)Oc1ccc(NC(=O)c2nn(N3CN(CC=C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1)c1ccccc1 |c:19| Show InChI InChI=1S/C28H27N9O4/c1-4-22(38)35-13-8-14-36(17-35)37-26-23(25(29)30-16-31-26)24(33-37)27(39)32-21-12-11-20(15-18(21)2)41-28(40)34(3)19-9-6-5-7-10-19/h4-12,14-16H,1,13,17H2,2-3H3,(H,32,39)(H2,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376908 (US10329300, Example 2 | US9920060, 2) Show SMILES CN(C)C(=O)Cc1cc(Cl)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C Show InChI InChI=1S/C25H29ClN8O3/c1-5-19(35)33-8-6-7-16(12-33)34-24-21(23(27)28-13-29-24)22(31-34)25(37)30-18-9-14(2)15(10-17(18)26)11-20(36)32(3)4/h5,9-10,13,16H,1,6-8,11-12H2,2-4H3,(H,30,37)(H2,27,28,29)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376960 (US10329300, Example 48 | US11696917, Example 48 | ...) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C=C)c1 Show InChI InChI=1S/C26H30N8O3/c1-5-17-12-16(13-21(36)32(3)4)9-10-19(17)30-26(37)23-22-24(27)28-15-29-25(22)34(31-23)18-8-7-11-33(14-18)20(35)6-2/h5-6,9-10,12,15,18H,1-2,7-8,11,13-14H2,3-4H3,(H,30,37)(H2,27,28,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376921 (US10329300, Example 15 | US11696917, Example 15 | ...) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(OC(F)F)c1 Show InChI InChI=1S/C25H28F2N8O4/c1-4-18(36)34-9-5-6-15(12-34)35-23-20(22(28)29-13-30-23)21(32-35)24(38)31-16-8-7-14(11-19(37)33(2)3)10-17(16)39-25(26)27/h4,7-8,10,13,15,25H,1,5-6,9,11-12H2,2-3H3,(H,31,38)(H2,28,29,30)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376942 (US10329300, Example 30 | US11696917, Example 30 | ...) Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C Show InChI InChI=1S/C24H28N8O4/c1-5-18(33)31-10-6-7-16(12-31)32-22-19(21(25)26-13-27-22)20(29-32)23(34)28-15-8-9-17(14(2)11-15)36-24(35)30(3)4/h5,8-9,11,13,16H,1,6-7,10,12H2,2-4H3,(H,28,34)(H2,25,26,27)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376914 (US10329300, Example 8 | US11696917, Example 8 | US...) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl Show InChI InChI=1S/C24H27ClN8O3/c1-4-18(34)32-9-5-6-16(12-32)33-23-20(22(26)27-13-28-23)21(30-33)24(36)29-15-8-7-14(17(25)11-15)10-19(35)31(2)3/h4,7-8,11,13,16H,1,5-6,9-10,12H2,2-3H3,(H,29,36)(H2,26,27,28)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376981 (US11696917, Example 69 | US9920060, 69) Show SMILES Cc1cc(OC(=O)N2CCCC2)ccc1NC(=O)c1nn(N2CC=CN(C2)C(=O)C=C)c2ncnc(N)c12 |c:25| Show InChI InChI=1S/C25H27N9O4/c1-3-19(35)32-11-6-12-33(15-32)34-23-20(22(26)27-14-28-23)21(30-34)24(36)29-18-8-7-17(13-16(18)2)38-25(37)31-9-4-5-10-31/h3,6-8,11,13-14H,1,4-5,9-10,12,15H2,2H3,(H,29,36)(H2,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376944 (US10329300, Example 32 | US11696917, Example 32 | ...) Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1C Show InChI InChI=1S/C25H30N8O4/c1-6-19(34)32-11-7-8-16(12-32)33-23-20(22(26)27-13-28-23)21(30-33)24(35)29-17-9-10-18(15(3)14(17)2)37-25(36)31(4)5/h6,9-10,13,16H,1,7-8,11-12H2,2-5H3,(H,29,35)(H2,26,27,28)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376925 (US10329300, Example 19 | US11696917, Example 19 | ...) Show SMILES CN(C)C(=O)Cc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl Show InChI InChI=1S/C25H29ClN8O3/c1-5-19(35)33-8-6-7-16(12-33)34-24-21(23(27)28-13-29-24)22(31-34)25(37)30-18-11-17(26)15(9-14(18)2)10-20(36)32(3)4/h5,9,11,13,16H,1,6-8,10,12H2,2-4H3,(H,30,37)(H2,27,28,29)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376915 (US10329300, Example 9 | US11696917, Example 9 | US...) Show SMILES COc1cc(CC(=O)N(C)C)c(Cl)cc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C25H29ClN8O4/c1-5-19(35)33-8-6-7-15(12-33)34-24-21(23(27)28-13-29-24)22(31-34)25(37)30-17-11-16(26)14(9-18(17)38-4)10-20(36)32(2)3/h5,9,11,13,15H,1,6-8,10,12H2,2-4H3,(H,30,37)(H2,27,28,29)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376907 (US10329300, Example 1 | US9920060, 1) Show SMILES CN(C)C(=O)Cc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Br Show InChI InChI=1S/C25H29BrN8O3/c1-5-19(35)33-8-6-7-16(12-33)34-24-21(23(27)28-13-29-24)22(31-34)25(37)30-18-11-17(26)15(9-14(18)2)10-20(36)32(3)4/h5,9,11,13,16H,1,6-8,10,12H2,2-4H3,(H,30,37)(H2,27,28,29)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376950 (US10329300, Example 38 | US11696917, Example 38 | ...) Show SMILES CN(C)C(=O)Oc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C Show InChI InChI=1S/C25H30N8O4/c1-6-19(34)32-9-7-8-16(12-32)33-23-20(22(26)27-13-28-23)21(30-33)24(35)29-17-10-15(3)18(11-14(17)2)37-25(36)31(4)5/h6,10-11,13,16H,1,7-9,12H2,2-5H3,(H,29,35)(H2,26,27,28)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376982 (US11696917, Example 70 | US9920060, 70) Show SMILES Cc1cc(OC(=O)N2CCCCC2)ccc1NC(=O)c1nn(N2CC=CN(C2)C(=O)C=C)c2ncnc(N)c12 |c:26| Show InChI InChI=1S/C26H29N9O4/c1-3-20(36)33-12-7-13-34(16-33)35-24-21(23(27)28-15-29-24)22(31-35)25(37)30-19-9-8-18(14-17(19)2)39-26(38)32-10-5-4-6-11-32/h3,7-9,12,14-15H,1,4-6,10-11,13,16H2,2H3,(H,30,37)(H2,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376922 (US10329300, Example 16 | US11696917, Example 16 | ...) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(OCF)c1 Show InChI InChI=1S/C25H29FN8O4/c1-4-19(35)33-9-5-6-16(12-33)34-24-21(23(27)28-14-29-24)22(31-34)25(37)30-17-8-7-15(10-18(17)38-13-26)11-20(36)32(2)3/h4,7-8,10,14,16H,1,5-6,9,11-13H2,2-3H3,(H,30,37)(H2,27,28,29)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376983 (US10329300, Example 71 | US11696917, Example 71 | ...) Show SMILES Cc1cc(CC(=O)N2CCCC2)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C27H32N8O3/c1-3-21(36)34-12-6-7-19(15-34)35-26-23(25(28)29-16-30-26)24(32-35)27(38)31-20-9-8-18(13-17(20)2)14-22(37)33-10-4-5-11-33/h3,8-9,13,16,19H,1,4-7,10-12,14-15H2,2H3,(H,31,38)(H2,28,29,30)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376984 (US11696917, Example 72 | US9920060, 72) Show SMILES CN[C@@H](C(=O)OC)c1ccc(NC(=O)c2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1 Show InChI InChI=1S/C25H30N8O4/c1-5-18(34)32-10-6-7-16(12-32)33-23-19(22(26)28-13-29-23)21(31-33)24(35)30-17-9-8-15(11-14(17)2)20(27-3)25(36)37-4/h5,8-9,11,13,16,20,27H,1,6-7,10,12H2,2-4H3,(H,30,35)(H2,26,28,29)/t16?,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376949 (US10329300, Example 37 | US9920060, 37) Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ncccc12 Show InChI InChI=1S/C26H27N9O4/c1-4-19(36)34-12-6-7-15(13-34)35-24-20(23(27)29-14-30-24)22(32-35)25(37)31-17-9-10-18(39-26(38)33(2)3)16-8-5-11-28-21(16)17/h4-5,8-11,14-15H,1,6-7,12-13H2,2-3H3,(H,31,37)(H2,27,29,30)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376970 ((R)-4-(1-(1-acryloylpyrrolidin-3-yl)-4-amino-1H-py...) Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12 Show InChI InChI=1S/C26H26N8O4/c1-4-20(35)33-12-11-15(13-33)34-24-21(23(27)28-14-29-24)22(31-34)25(36)30-18-9-10-19(38-26(37)32(2)3)17-8-6-5-7-16(17)18/h4-10,14-15H,1,11-13H2,2-3H3,(H,30,36)(H2,27,28,29)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376946 (US10329300, Example 34 | US11696917, Example 34 | ...) Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1F Show InChI InChI=1S/C23H25FN8O4/c1-4-17(33)31-9-5-6-14(11-31)32-21-18(20(25)26-12-27-21)19(29-32)22(34)28-13-7-8-16(15(24)10-13)36-23(35)30(2)3/h4,7-8,10,12,14H,1,5-6,9,11H2,2-3H3,(H,28,34)(H2,25,26,27)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376911 (US10329300, Example 5 | US9920060, 5) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12 Show InChI InChI=1S/C28H30N8O3/c1-4-22(37)35-13-7-8-18(15-35)36-27-24(26(29)30-16-31-27)25(33-36)28(39)32-21-12-11-17(14-23(38)34(2)3)19-9-5-6-10-20(19)21/h4-6,9-12,16,18H,1,7-8,13-15H2,2-3H3,(H,32,39)(H2,29,30,31)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376910 (US10329300, Example 4 | US9920060, 4) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1 Show InChI InChI=1S/C25H30N8O3/c1-5-19(34)32-10-6-7-17(13-32)33-24-21(23(26)27-14-28-24)22(30-33)25(36)29-18-9-8-16(11-15(18)2)12-20(35)31(3)4/h5,8-9,11,14,17H,1,6-7,10,12-13H2,2-4H3,(H,29,36)(H2,26,27,28)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376973 ((R)-1-(1-acryloylpyrrolidin-3-yl)-4-amino-N-(4-(2-...) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12 Show InChI InChI=1S/C27H28N8O3/c1-4-21(36)34-12-11-17(14-34)35-26-23(25(28)29-15-30-26)24(32-35)27(38)31-20-10-9-16(13-22(37)33(2)3)18-7-5-6-8-19(18)20/h4-10,15,17H,1,11-14H2,2-3H3,(H,31,38)(H2,28,29,30)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376964 (US10329300, Example 52 | US11696917, Example 52 | ...) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(c1)-c1ccoc1 Show InChI InChI=1S/C28H30N8O4/c1-4-22(37)35-10-5-6-19(14-35)36-27-24(26(29)30-16-31-27)25(33-36)28(39)32-21-8-7-17(13-23(38)34(2)3)12-20(21)18-9-11-40-15-18/h4,7-9,11-12,15-16,19H,1,5-6,10,13-14H2,2-3H3,(H,32,39)(H2,29,30,31)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376916 (US10329300, Example 10 | US11696917, Example 10 | ...) Show SMILES CN(C)C(=O)Cc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1F Show InChI InChI=1S/C25H29FN8O3/c1-5-19(35)33-8-6-7-16(12-33)34-24-21(23(27)28-13-29-24)22(31-34)25(37)30-18-11-17(26)15(9-14(18)2)10-20(36)32(3)4/h5,9,11,13,16H,1,6-8,10,12H2,2-4H3,(H,30,37)(H2,27,28,29)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376919 (US10329300, Example 13 | US11696917, Example 13 | ...) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1C Show InChI InChI=1S/C26H32N8O3/c1-6-20(35)33-11-7-8-18(13-33)34-25-22(24(27)28-14-29-25)23(31-34)26(37)30-19-10-9-17(15(2)16(19)3)12-21(36)32(4)5/h6,9-10,14,18H,1,7-8,11-13H2,2-5H3,(H,30,37)(H2,27,28,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376926 (US10329300, Example 20 | US11696917, Example 20 | ...) Show SMILES CN(C)C(=O)Cc1cc(Cl)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl Show InChI InChI=1S/C24H26Cl2N8O3/c1-4-18(35)33-7-5-6-14(11-33)34-23-20(22(27)28-12-29-23)21(31-34)24(37)30-17-10-15(25)13(8-16(17)26)9-19(36)32(2)3/h4,8,10,12,14H,1,5-7,9,11H2,2-3H3,(H,30,37)(H2,27,28,29)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376943 (US10329300, Example 31 | US11696917, Example 31 | ...) Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(F)c1 Show InChI InChI=1S/C23H25FN8O4/c1-4-17(33)31-9-5-6-13(11-31)32-21-18(20(25)26-12-27-21)19(29-32)22(34)28-16-8-7-14(10-15(16)24)36-23(35)30(2)3/h4,7-8,10,12-13H,1,5-6,9,11H2,2-3H3,(H,28,34)(H2,25,26,27)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376989 (US10329300, Example 77 | US11696917, Example 77 | ...) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CC(F)CN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1C Show InChI InChI=1S/C26H31FN8O3/c1-6-20(36)34-11-17(27)10-18(12-34)35-25-22(24(28)29-13-30-25)23(32-35)26(38)31-19-8-7-16(14(2)15(19)3)9-21(37)33(4)5/h6-8,13,17-18H,1,9-12H2,2-5H3,(H,31,38)(H2,28,29,30)/t17?,18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376955 (US10329300, Example 43 | US11696917, Example 43 | ...) Show SMILES CN(C)C(=O)Oc1c(F)cc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1F Show InChI InChI=1S/C23H24F2N8O4/c1-4-16(34)32-7-5-6-13(10-32)33-21-17(20(26)27-11-28-21)18(30-33)22(35)29-12-8-14(24)19(15(25)9-12)37-23(36)31(2)3/h4,8-9,11,13H,1,5-7,10H2,2-3H3,(H,29,35)(H2,26,27,28)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376990 (1-((3R,5S)-1-acryloyl-5-methylpyrrolidin-3-yl)-4-a...) Show SMILES C[C@@H]1C[C@H](CN1C(=O)C=C)n1nc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2Cl)c2c(N)ncnc12 Show InChI InChI=1S/C24H27ClN8O3/c1-5-18(34)32-11-15(8-13(32)2)33-23-20(22(26)27-12-28-23)21(30-33)24(36)29-17-7-6-14(9-16(17)25)10-19(35)31(3)4/h5-7,9,12-13,15H,1,8,10-11H2,2-4H3,(H,29,36)(H2,26,27,28)/t13-,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376965 (US10329300, Example 53 | US11696917, Example 53 | ...) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2OCOc12 Show InChI InChI=1S/C25H28N8O5/c1-4-17(34)32-9-5-6-15(11-32)33-24-19(23(26)27-12-28-24)20(30-33)25(36)29-16-8-7-14(10-18(35)31(2)3)21-22(16)38-13-37-21/h4,7-8,12,15H,1,5-6,9-11,13H2,2-3H3,(H,29,36)(H2,26,27,28)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376947 (US10329300, Example 35 | US11696917, Example 35 | ...) Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(F)c1F Show InChI InChI=1S/C23H24F2N8O4/c1-4-15(34)32-9-5-6-12(10-32)33-21-16(20(26)27-11-28-21)19(30-33)22(35)29-13-7-8-14(18(25)17(13)24)37-23(36)31(2)3/h4,7-8,11-12H,1,5-6,9-10H2,2-3H3,(H,29,35)(H2,26,27,28)/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376987 (US10329300, Example 75 | US11696917, Example 75 | ...) Show SMILES Cc1cc(NC(=O)N2CCCC2)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C26H31N9O3/c1-3-20(36)34-12-6-7-18(14-34)35-24-21(23(27)28-15-29-24)22(32-35)25(37)31-19-9-8-17(13-16(19)2)30-26(38)33-10-4-5-11-33/h3,8-9,13,15,18H,1,4-7,10-12,14H2,2H3,(H,30,38)(H,31,37)(H2,27,28,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376986 (US10329300, Example 74 | US11696917, Example 74 | ...) Show SMILES CN(C)C(=O)Nc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1 Show InChI InChI=1S/C24H29N9O3/c1-5-18(34)32-10-6-7-16(12-32)33-22-19(21(25)26-13-27-22)20(30-33)23(35)29-17-9-8-15(11-14(17)2)28-24(36)31(3)4/h5,8-9,11,13,16H,1,6-7,10,12H2,2-4H3,(H,28,36)(H,29,35)(H2,25,26,27)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376991 (US9920060, 79) Show SMILES C[C@@H]1C[C@H](CN1C(=O)C=C)n1nc(C(=O)Nc2ccc(CC(=O)N(C)C)c(C)c2C)c2c(N)ncnc12 Show InChI InChI=1S/C26H32N8O3/c1-7-20(35)33-12-18(10-14(33)2)34-25-22(24(27)28-13-29-25)23(31-34)26(37)30-19-9-8-17(15(3)16(19)4)11-21(36)32(5)6/h7-9,13-14,18H,1,10-12H2,2-6H3,(H,30,37)(H2,27,28,29)/t14-,18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 80 total )  |  Next  |  Last  >>

Jump to: