Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM304259'   

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))	BDBM304259 (US10143695, Compound 85) Show SMILES COC(=O)c1cnc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C |r,c:42| Show InChI InChI=1S/C44H43N11O9/c1-24-12-29-19-45-31-17-35(34(62-5)16-30(31)42(59)55(29)20-24)64-11-7-8-37(56)49-36-23-53(4)39(50-36)41(58)48-27-14-32(51(2)21-27)40(57)47-28-15-33(52(3)22-28)43(60)54-10-9-25-13-26(44(61)63-6)18-46-38(25)54/h9-10,13-19,21-23,29H,1,7-8,11-12,20H2,2-6H3,(H,47,57)(H,48,58)(H,49,56)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Mersana Therapeutics, Inc. US Patent					Assay Description PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...				US Patent US10143695 (2018) BindingDB Entry DOI: 10.7270/Q2ZC84ZB
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM304259 (US10143695, Compound 85) Show SMILES COC(=O)c1cnc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C |r,c:42| Show InChI InChI=1S/C44H43N11O9/c1-24-12-29-19-45-31-17-35(34(62-5)16-30(31)42(59)55(29)20-24)64-11-7-8-37(56)49-36-23-53(4)39(50-36)41(58)48-27-14-32(51(2)21-27)40(57)47-28-15-33(52(3)22-28)43(60)54-10-9-25-13-26(44(61)63-6)18-46-38(25)54/h9-10,13-19,21-23,29H,1,7-8,11-12,20H2,2-6H3,(H,47,57)(H,48,58)(H,49,56)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
Mersana Therapeutics, Inc. US Patent					Assay Description PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...				US Patent US10143695 (2018) BindingDB Entry DOI: 10.7270/Q2ZC84ZB
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM304259 (US10143695, Compound 85) Show SMILES COC(=O)c1cnc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C |r,c:42| Show InChI InChI=1S/C44H43N11O9/c1-24-12-29-19-45-31-17-35(34(62-5)16-30(31)42(59)55(29)20-24)64-11-7-8-37(56)49-36-23-53(4)39(50-36)41(58)48-27-14-32(51(2)21-27)40(57)47-28-15-33(52(3)22-28)43(60)54-10-9-25-13-26(44(61)63-6)18-46-38(25)54/h9-10,13-19,21-23,29H,1,7-8,11-12,20H2,2-6H3,(H,47,57)(H,48,58)(H,49,56)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Mersana Therapeutics, Inc. US Patent					Assay Description PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...				US Patent US10143695 (2018) BindingDB Entry DOI: 10.7270/Q2ZC84ZB
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM304259 (US10143695, Compound 85) Show SMILES COC(=O)c1cnc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C |r,c:42| Show InChI InChI=1S/C44H43N11O9/c1-24-12-29-19-45-31-17-35(34(62-5)16-30(31)42(59)55(29)20-24)64-11-7-8-37(56)49-36-23-53(4)39(50-36)41(58)48-27-14-32(51(2)21-27)40(57)47-28-15-33(52(3)22-28)43(60)54-10-9-25-13-26(44(61)63-6)18-46-38(25)54/h9-10,13-19,21-23,29H,1,7-8,11-12,20H2,2-6H3,(H,47,57)(H,48,58)(H,49,56)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Mersana Therapeutics, Inc. US Patent					Assay Description PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo® (Promega...				US Patent US10143695 (2018) BindingDB Entry DOI: 10.7270/Q2ZC84ZB
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM304259 (US10143695, Compound 85) Show SMILES COC(=O)c1cnc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C |r,c:42| Show InChI InChI=1S/C44H43N11O9/c1-24-12-29-19-45-31-17-35(34(62-5)16-30(31)42(59)55(29)20-24)64-11-7-8-37(56)49-36-23-53(4)39(50-36)41(58)48-27-14-32(51(2)21-27)40(57)47-28-15-33(52(3)22-28)43(60)54-10-9-25-13-26(44(61)63-6)18-46-38(25)54/h9-10,13-19,21-23,29H,1,7-8,11-12,20H2,2-6H3,(H,47,57)(H,48,58)(H,49,56)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.2	n/a	n/a	n/a	n/a	n/a	n/a
Mersana Therapeutics, Inc. US Patent					Assay Description PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...				US Patent US10143695 (2018) BindingDB Entry DOI: 10.7270/Q2ZC84ZB
					More data for this Ligand-Target Pair