Compile Data Set for Download or QSAR

Found 411 hits with Last Name = 'irie' 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
DNA polymerase theta (Homo sapiens)	BDBM50591018 (CHEMBL5204203) Show SMILES Cc1nnc(o1)C(=O)NCC#CCN(C(=O)Cc1ccc(cc1C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0680	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591016 (CHEMBL5175156) Show SMILES FC(F)(F)c1ccc(CC(=O)N(CC#CCNC(=O)c2cccnc2)c2ccccc2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591017 (CHEMBL5206022) Show SMILES FC(F)(F)c1ccc(CC(=O)N(CC#CCNC(=O)c2ccccn2)c2ccccc2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591022 (CHEMBL5197367) Show SMILES FC(F)(F)c1ccc(CC(=O)N(CC#Cc2cccc(=O)[nH]2)c2ccccc2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591035 (CHEMBL5187422) Show SMILES Nc1ccc(nn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591030 (CHEMBL5174509) Show SMILES Fc1ccc(cc1)N(CC#Cc1ccc(cn1)C1CCNC1)C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591026 (CHEMBL5197173) Show SMILES Fc1ccc(cc1)N(CC#Cc1cnn(c1)C1CNC1)C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591015 (CHEMBL5170373) Show SMILES CC(=O)NCC#CCN(C(=O)Cc1ccc(cc1C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591028 (CHEMBL5194637) Show SMILES CS(=O)(=O)Cn1cc(cn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591027 (CHEMBL5197021) Show SMILES CC(C(N)=O)n1cc(cn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591019 (CHEMBL5187337) Show SMILES Cn1cncc1C#CCN(C(=O)Cc1ccc(cc1C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591024 (CHEMBL5188048) Show SMILES FC(F)(F)c1ccc(CC(=O)N(CC#Cc2cccnn2)c2ccccc2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA polymerase theta (Homo sapiens)	BDBM50591033 (CHEMBL5181369) Show SMILES Nc1ncc(cn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591029 (CHEMBL5174376) Show SMILES Cn1nc(N)cc1C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591032 (CHEMBL5200250) Show SMILES COc1ncc(cn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591021 (CHEMBL5174283) Show SMILES FC(F)(F)c1ccc(CC(=O)N(CC#Cc2cccnc2)c2ccccc2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
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		n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2F193VV
					More data for this Ligand-Target Pair
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
TAIHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description For setting the conditions for the method for measuring the in vitro inhibitory activity of a compound against HER2-phosphorylating activity, Profile...				US Patent US10329300 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RWF
					More data for this Ligand-Target Pair
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
DNA polymerase theta (Homo sapiens)	BDBM50591020 (CHEMBL5195161) Show SMILES FC(F)(F)c1ccc(CC(=O)N(CC#Cc2ccccn2)c2ccccc2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591023 (CHEMBL5194194) Show SMILES FC(F)(F)c1ccc(CC(=O)N(CC#Cc2ncccn2)c2ccccc2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					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		n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2F193VV
					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))	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
TAIHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description For setting the conditions for the method for measuring the in vitro inhibitory activity of a compound against HER2-phosphorylating activity, Profile...				US Patent US10329300 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RWF
					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))	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		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2F193VV
					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
TAIHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description For setting the conditions for the method for measuring the in vitro inhibitory activity of a compound against HER2-phosphorylating activity, Profile...				US Patent US10329300 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RWF
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591034 (CHEMBL5206029) Show SMILES Nc1cnc(cn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					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
TAIHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description For setting the conditions for the method for measuring the in vitro inhibitory activity of a compound against HER2-phosphorylating activity, Profile...				US Patent US10329300 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RWF
					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		n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2F193VV
					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
TAIHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description For setting the conditions for the method for measuring the in vitro inhibitory activity of a compound against HER2-phosphorylating activity, Profile...				US Patent US10329300 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RWF
					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))	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		n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2F193VV
					More data for this Ligand-Target Pair
DNA polymerase theta (Homo sapiens)	BDBM50591031 (CHEMBL5202450) Show SMILES COc1ccc(nn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					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
TAIHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description For setting the conditions for the method for measuring the in vitro inhibitory activity of a compound against HER2-phosphorylating activity, Profile...				US Patent US10329300 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RWF
					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))	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		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2F193VV
					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		n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2F193VV
					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
TAIHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description For setting the conditions for the method for measuring the in vitro inhibitory activity of a compound against HER2-phosphorylating activity, Profile...				US Patent US10329300 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RWF
					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
DNA polymerase theta (Homo sapiens)	BDBM50591035 (CHEMBL5187422) Show SMILES Nc1ccc(nn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00998 BindingDB Entry DOI: 10.7270/Q2C53QVS
					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		n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2F193VV
					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))	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
TAIHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description For setting the conditions for the method for measuring the in vitro inhibitory activity of a compound against HER2-phosphorylating activity, Profile...				US Patent US10329300 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RWF
					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
TAIHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description For setting the conditions for the method for measuring the in vitro inhibitory activity of a compound against HER2-phosphorylating activity, Profile...				US Patent US10329300 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RWF
					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))	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		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2F193VV
					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		n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2F193VV
					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
TAIHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description For setting the conditions for the method for measuring the in vitro inhibitory activity of a compound against HER2-phosphorylating activity, Profile...				US Patent US10329300 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RWF
					More data for this Ligand-Target Pair

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