Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM304257'   

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))	BDBM304257 (US10143695, Compound 83) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(CN)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:58| Show InChI InChI=1S/C44H45N11O7/c1-25-13-30-20-46-32-18-37(36(61-5)17-31(32)43(59)55(30)21-25)62-12-6-7-39(56)49-38-24-53(4)40(50-38)42(58)48-28-15-34(51(2)22-28)41(57)47-29-16-35(52(3)23-29)44(60)54-11-10-27-14-26(19-45)8-9-33(27)54/h8-11,14-18,20,22-24,30H,1,6-7,12-13,19,21,45H2,2-5H3,(H,47,57)(H,48,58)(H,49,56)/t30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.180	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))	BDBM304257 (US10143695, Compound 83) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(CN)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:58| Show InChI InChI=1S/C44H45N11O7/c1-25-13-30-20-46-32-18-37(36(61-5)17-31(32)43(59)55(30)21-25)62-12-6-7-39(56)49-38-24-53(4)40(50-38)42(58)48-28-15-34(51(2)22-28)41(57)47-29-16-35(52(3)23-29)44(60)54-11-10-27-14-26(19-45)8-9-33(27)54/h8-11,14-18,20,22-24,30H,1,6-7,12-13,19,21,45H2,2-5H3,(H,47,57)(H,48,58)(H,49,56)/t30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.810	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))	BDBM304257 (US10143695, Compound 83) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(CN)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:58| Show InChI InChI=1S/C44H45N11O7/c1-25-13-30-20-46-32-18-37(36(61-5)17-31(32)43(59)55(30)21-25)62-12-6-7-39(56)49-38-24-53(4)40(50-38)42(58)48-28-15-34(51(2)22-28)41(57)47-29-16-35(52(3)23-29)44(60)54-11-10-27-14-26(19-45)8-9-33(27)54/h8-11,14-18,20,22-24,30H,1,6-7,12-13,19,21,45H2,2-5H3,(H,47,57)(H,48,58)(H,49,56)/t30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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))	BDBM304257 (US10143695, Compound 83) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(CN)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:58| Show InChI InChI=1S/C44H45N11O7/c1-25-13-30-20-46-32-18-37(36(61-5)17-31(32)43(59)55(30)21-25)62-12-6-7-39(56)49-38-24-53(4)40(50-38)42(58)48-28-15-34(51(2)22-28)41(57)47-29-16-35(52(3)23-29)44(60)54-11-10-27-14-26(19-45)8-9-33(27)54/h8-11,14-18,20,22-24,30H,1,6-7,12-13,19,21,45H2,2-5H3,(H,47,57)(H,48,58)(H,49,56)/t30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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))	BDBM304257 (US10143695, Compound 83) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(CN)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:58| Show InChI InChI=1S/C44H45N11O7/c1-25-13-30-20-46-32-18-37(36(61-5)17-31(32)43(59)55(30)21-25)62-12-6-7-39(56)49-38-24-53(4)40(50-38)42(58)48-28-15-34(51(2)22-28)41(57)47-29-16-35(52(3)23-29)44(60)54-11-10-27-14-26(19-45)8-9-33(27)54/h8-11,14-18,20,22-24,30H,1,6-7,12-13,19,21,45H2,2-5H3,(H,47,57)(H,48,58)(H,49,56)/t30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	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