Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM304254'   

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))	BDBM304254 (US10143695, Compound 78) 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]1Cc3ccccc3N1C2=O |r,c:57| Show InChI InChI=1S/C46H43N11O7/c1-53-23-29(18-36(53)43(59)49-30-19-37(54(2)24-30)46(62)56-14-13-27-16-28(47)11-12-34(27)56)50-44(60)42-52-40(25-55(42)3)51-41(58)10-7-15-64-39-21-33-32(20-38(39)63-4)45(61)57-31(22-48-33)17-26-8-5-6-9-35(26)57/h5-6,8-9,11-14,16,18-25,31H,7,10,15,17,47H2,1-4H3,(H,49,59)(H,50,60)(H,51,58)/t31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	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))	BDBM304254 (US10143695, Compound 78) 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]1Cc3ccccc3N1C2=O |r,c:57| Show InChI InChI=1S/C46H43N11O7/c1-53-23-29(18-36(53)43(59)49-30-19-37(54(2)24-30)46(62)56-14-13-27-16-28(47)11-12-34(27)56)50-44(60)42-52-40(25-55(42)3)51-41(58)10-7-15-64-39-21-33-32(20-38(39)63-4)45(61)57-31(22-48-33)17-26-8-5-6-9-35(26)57/h5-6,8-9,11-14,16,18-25,31H,7,10,15,17,47H2,1-4H3,(H,49,59)(H,50,60)(H,51,58)/t31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	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))	BDBM304254 (US10143695, Compound 78) 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]1Cc3ccccc3N1C2=O |r,c:57| Show InChI InChI=1S/C46H43N11O7/c1-53-23-29(18-36(53)43(59)49-30-19-37(54(2)24-30)46(62)56-14-13-27-16-28(47)11-12-34(27)56)50-44(60)42-52-40(25-55(42)3)51-41(58)10-7-15-64-39-21-33-32(20-38(39)63-4)45(61)57-31(22-48-33)17-26-8-5-6-9-35(26)57/h5-6,8-9,11-14,16,18-25,31H,7,10,15,17,47H2,1-4H3,(H,49,59)(H,50,60)(H,51,58)/t31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.630	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))	BDBM304254 (US10143695, Compound 78) 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]1Cc3ccccc3N1C2=O |r,c:57| Show InChI InChI=1S/C46H43N11O7/c1-53-23-29(18-36(53)43(59)49-30-19-37(54(2)24-30)46(62)56-14-13-27-16-28(47)11-12-34(27)56)50-44(60)42-52-40(25-55(42)3)51-41(58)10-7-15-64-39-21-33-32(20-38(39)63-4)45(61)57-31(22-48-33)17-26-8-5-6-9-35(26)57/h5-6,8-9,11-14,16,18-25,31H,7,10,15,17,47H2,1-4H3,(H,49,59)(H,50,60)(H,51,58)/t31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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))	BDBM304254 (US10143695, Compound 78) 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]1Cc3ccccc3N1C2=O |r,c:57| Show InChI InChI=1S/C46H43N11O7/c1-53-23-29(18-36(53)43(59)49-30-19-37(54(2)24-30)46(62)56-14-13-27-16-28(47)11-12-34(27)56)50-44(60)42-52-40(25-55(42)3)51-41(58)10-7-15-64-39-21-33-32(20-38(39)63-4)45(61)57-31(22-48-33)17-26-8-5-6-9-35(26)57/h5-6,8-9,11-14,16,18-25,31H,7,10,15,17,47H2,1-4H3,(H,49,59)(H,50,60)(H,51,58)/t31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	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