Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase receptor Ret' and Ligand = 'BDBM370400'   

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
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM370400 (US10233189, Example 85 | US10787457, Example 85 | ...) Show SMILES Cc1cc(NC(=O)c2c(C#CCC3(O)CCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1 Show InChI InChI=1S/C22H25N7O2/c1-13-11-15(28-27-13)26-20(30)16-14(5-3-6-22(31)7-4-8-22)29(21(2)9-10-21)19-17(16)18(23)24-12-25-19/h11-12,31H,4,6-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2B85BDW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM370400 (US10233189, Example 85 | US10787457, Example 85 | ...) Show SMILES Cc1cc(NC(=O)c2c(C#CCC3(O)CCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1 Show InChI InChI=1S/C22H25N7O2/c1-13-11-15(28-27-13)26-20(30)16-14(5-3-6-22(31)7-4-8-22)29(21(2)9-10-21)19-17(16)18(23)24-12-25-19/h11-12,31H,4,6-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154M86
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM370400 (US10233189, Example 85 | US10787457, Example 85 | ...) Show SMILES Cc1cc(NC(=O)c2c(C#CCC3(O)CCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1 Show InChI InChI=1S/C22H25N7O2/c1-13-11-15(28-27-13)26-20(30)16-14(5-3-6-22(31)7-4-8-22)29(21(2)9-10-21)19-17(16)18(23)24-12-25-19/h11-12,31H,4,6-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...				US Patent US11014930 (2021) BindingDB Entry DOI: 10.7270/Q26D5X4G
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM370400 (US10233189, Example 85 | US10787457, Example 85 | ...) Show SMILES Cc1cc(NC(=O)c2c(C#CCC3(O)CCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1 Show InChI InChI=1S/C22H25N7O2/c1-13-11-15(28-27-13)26-20(30)16-14(5-3-6-22(31)7-4-8-22)29(21(2)9-10-21)19-17(16)18(23)24-12-25-19/h11-12,31H,4,6-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...				US Patent US10787457 (2020) BindingDB Entry DOI: 10.7270/Q2BR8W77
					More data for this Ligand-Target Pair