Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM304247'   

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))	BDBM304247 (US10143695, Compound 48) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1nc(cs1)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:56| Show InChI InChI=1S/C42H40N10O7S/c1-23-12-28-18-44-30-17-36(35(58-4)16-29(30)40(56)52(28)19-23)59-11-5-6-37(53)48-42-47-31(22-60-42)38(54)45-26-14-33(49(2)20-26)39(55)46-27-15-34(50(3)21-27)41(57)51-10-9-24-13-25(43)7-8-32(24)51/h7-10,13-18,20-22,28H,1,5-6,11-12,19,43H2,2-4H3,(H,45,54)(H,46,55)(H,47,48,53)/t28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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))	BDBM304247 (US10143695, Compound 48) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1nc(cs1)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:56| Show InChI InChI=1S/C42H40N10O7S/c1-23-12-28-18-44-30-17-36(35(58-4)16-29(30)40(56)52(28)19-23)59-11-5-6-37(53)48-42-47-31(22-60-42)38(54)45-26-14-33(49(2)20-26)39(55)46-27-15-34(50(3)21-27)41(57)51-10-9-24-13-25(43)7-8-32(24)51/h7-10,13-18,20-22,28H,1,5-6,11-12,19,43H2,2-4H3,(H,45,54)(H,46,55)(H,47,48,53)/t28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	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))	BDBM304247 (US10143695, Compound 48) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1nc(cs1)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:56| Show InChI InChI=1S/C42H40N10O7S/c1-23-12-28-18-44-30-17-36(35(58-4)16-29(30)40(56)52(28)19-23)59-11-5-6-37(53)48-42-47-31(22-60-42)38(54)45-26-14-33(49(2)20-26)39(55)46-27-15-34(50(3)21-27)41(57)51-10-9-24-13-25(43)7-8-32(24)51/h7-10,13-18,20-22,28H,1,5-6,11-12,19,43H2,2-4H3,(H,45,54)(H,46,55)(H,47,48,53)/t28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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))	BDBM304247 (US10143695, Compound 48) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1nc(cs1)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:56| Show InChI InChI=1S/C42H40N10O7S/c1-23-12-28-18-44-30-17-36(35(58-4)16-29(30)40(56)52(28)19-23)59-11-5-6-37(53)48-42-47-31(22-60-42)38(54)45-26-14-33(49(2)20-26)39(55)46-27-15-34(50(3)21-27)41(57)51-10-9-24-13-25(43)7-8-32(24)51/h7-10,13-18,20-22,28H,1,5-6,11-12,19,43H2,2-4H3,(H,45,54)(H,46,55)(H,47,48,53)/t28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM304247 (US10143695, Compound 48) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1nc(cs1)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:56| Show InChI InChI=1S/C42H40N10O7S/c1-23-12-28-18-44-30-17-36(35(58-4)16-29(30)40(56)52(28)19-23)59-11-5-6-37(53)48-42-47-31(22-60-42)38(54)45-26-14-33(49(2)20-26)39(55)46-27-15-34(50(3)21-27)41(57)51-10-9-24-13-25(43)7-8-32(24)51/h7-10,13-18,20-22,28H,1,5-6,11-12,19,43H2,2-4H3,(H,45,54)(H,46,55)(H,47,48,53)/t28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	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