Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM304253'   

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))	BDBM304253 (US10143695, Compound 77) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)N4CCc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C43H45N11O7/c1-24-13-29-19-45-31-18-36(35(60-5)17-30(31)42(58)54(29)20-24)61-12-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-27-15-33(50(2)21-27)40(56)46-28-16-34(51(3)22-28)43(59)53-11-10-25-14-26(44)8-9-32(25)53/h8-9,14-19,21-23,29H,1,6-7,10-13,20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	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))	BDBM304253 (US10143695, Compound 77) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)N4CCc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C43H45N11O7/c1-24-13-29-19-45-31-18-36(35(60-5)17-30(31)42(58)54(29)20-24)61-12-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-27-15-33(50(2)21-27)40(56)46-28-16-34(51(3)22-28)43(59)53-11-10-25-14-26(44)8-9-32(25)53/h8-9,14-19,21-23,29H,1,6-7,10-13,20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	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))	BDBM304253 (US10143695, Compound 77) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)N4CCc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C43H45N11O7/c1-24-13-29-19-45-31-18-36(35(60-5)17-30(31)42(58)54(29)20-24)61-12-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-27-15-33(50(2)21-27)40(56)46-28-16-34(51(3)22-28)43(59)53-11-10-25-14-26(44)8-9-32(25)53/h8-9,14-19,21-23,29H,1,6-7,10-13,20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	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))	BDBM304253 (US10143695, Compound 77) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)N4CCc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C43H45N11O7/c1-24-13-29-19-45-31-18-36(35(60-5)17-30(31)42(58)54(29)20-24)61-12-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-27-15-33(50(2)21-27)40(56)46-28-16-34(51(3)22-28)43(59)53-11-10-25-14-26(44)8-9-32(25)53/h8-9,14-19,21-23,29H,1,6-7,10-13,20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.9	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))	BDBM304253 (US10143695, Compound 77) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)N4CCc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C43H45N11O7/c1-24-13-29-19-45-31-18-36(35(60-5)17-30(31)42(58)54(29)20-24)61-12-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-27-15-33(50(2)21-27)40(56)46-28-16-34(51(3)22-28)43(59)53-11-10-25-14-26(44)8-9-32(25)53/h8-9,14-19,21-23,29H,1,6-7,10-13,20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37.1	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