BDBM304252 US10143695, Compound 69

SMILES: COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCO)n(C)c4)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O

InChI Key: InChIKey=PRRHJTRIZWFLDA-LJAQVGFWSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 304252   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM304252 (US10143695, Compound 69) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCO)n(C)c4)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O |r,c:50| Show InChI InChI=1S/C42H45N9O8/c1-48-23-27(17-33(48)39(54)43-12-8-13-52)46-41(56)35-18-28(24-50(35)3)47-40(55)34-16-26(22-49(34)2)45-38(53)11-7-14-59-37-20-31-30(19-36(37)58-4)42(57)51-29(21-44-31)15-25-9-5-6-10-32(25)51/h5-6,9-10,16-24,29,52H,7-8,11-15H2,1-4H3,(H,43,54)(H,45,53)(H,46,56)(H,47,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	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))	BDBM304252 (US10143695, Compound 69) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCO)n(C)c4)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O |r,c:50| Show InChI InChI=1S/C42H45N9O8/c1-48-23-27(17-33(48)39(54)43-12-8-13-52)46-41(56)35-18-28(24-50(35)3)47-40(55)34-16-26(22-49(34)2)45-38(53)11-7-14-59-37-20-31-30(19-36(37)58-4)42(57)51-29(21-44-31)15-25-9-5-6-10-32(25)51/h5-6,9-10,16-24,29,52H,7-8,11-15H2,1-4H3,(H,43,54)(H,45,53)(H,46,56)(H,47,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	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))	BDBM304252 (US10143695, Compound 69) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCO)n(C)c4)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O |r,c:50| Show InChI InChI=1S/C42H45N9O8/c1-48-23-27(17-33(48)39(54)43-12-8-13-52)46-41(56)35-18-28(24-50(35)3)47-40(55)34-16-26(22-49(34)2)45-38(53)11-7-14-59-37-20-31-30(19-36(37)58-4)42(57)51-29(21-44-31)15-25-9-5-6-10-32(25)51/h5-6,9-10,16-24,29,52H,7-8,11-15H2,1-4H3,(H,43,54)(H,45,53)(H,46,56)(H,47,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	69	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))	BDBM304252 (US10143695, Compound 69) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCO)n(C)c4)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O |r,c:50| Show InChI InChI=1S/C42H45N9O8/c1-48-23-27(17-33(48)39(54)43-12-8-13-52)46-41(56)35-18-28(24-50(35)3)47-40(55)34-16-26(22-49(34)2)45-38(53)11-7-14-59-37-20-31-30(19-36(37)58-4)42(57)51-29(21-44-31)15-25-9-5-6-10-32(25)51/h5-6,9-10,16-24,29,52H,7-8,11-15H2,1-4H3,(H,43,54)(H,45,53)(H,46,56)(H,47,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	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))	BDBM304252 (US10143695, Compound 69) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCO)n(C)c4)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O |r,c:50| Show InChI InChI=1S/C42H45N9O8/c1-48-23-27(17-33(48)39(54)43-12-8-13-52)46-41(56)35-18-28(24-50(35)3)47-40(55)34-16-26(22-49(34)2)45-38(53)11-7-14-59-37-20-31-30(19-36(37)58-4)42(57)51-29(21-44-31)15-25-9-5-6-10-32(25)51/h5-6,9-10,16-24,29,52H,7-8,11-15H2,1-4H3,(H,43,54)(H,45,53)(H,46,56)(H,47,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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