BDBM304239 US10143695, Compound 6A

SMILES: COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)N4Cc5ccc(N)cc5C4)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O

InChI Key: InChIKey=CWJCULBIBSROQR-PMERELPUSA-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 = 304239   

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))	BDBM304239 (US10143695, Compound 6A) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)N4Cc5ccc(N)cc5C4)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C43H45N11O7/c1-24-11-30-17-45-32-16-36(35(60-5)15-31(32)42(58)54(30)18-24)61-10-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-28-13-33(50(2)21-28)40(56)46-29-14-34(51(3)22-29)43(59)53-19-25-8-9-27(44)12-26(25)20-53/h8-9,12-17,21-23,30H,1,6-7,10-11,18-20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	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))	BDBM304239 (US10143695, Compound 6A) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)N4Cc5ccc(N)cc5C4)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C43H45N11O7/c1-24-11-30-17-45-32-16-36(35(60-5)15-31(32)42(58)54(30)18-24)61-10-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-28-13-33(50(2)21-28)40(56)46-29-14-34(51(3)22-29)43(59)53-19-25-8-9-27(44)12-26(25)20-53/h8-9,12-17,21-23,30H,1,6-7,10-11,18-20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	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))	BDBM304239 (US10143695, Compound 6A) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)N4Cc5ccc(N)cc5C4)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C43H45N11O7/c1-24-11-30-17-45-32-16-36(35(60-5)15-31(32)42(58)54(30)18-24)61-10-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-28-13-33(50(2)21-28)40(56)46-29-14-34(51(3)22-29)43(59)53-19-25-8-9-27(44)12-26(25)20-53/h8-9,12-17,21-23,30H,1,6-7,10-11,18-20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.1	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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM304239 (US10143695, Compound 6A) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)N4Cc5ccc(N)cc5C4)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C43H45N11O7/c1-24-11-30-17-45-32-16-36(35(60-5)15-31(32)42(58)54(30)18-24)61-10-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-28-13-33(50(2)21-28)40(56)46-29-14-34(51(3)22-29)43(59)53-19-25-8-9-27(44)12-26(25)20-53/h8-9,12-17,21-23,30H,1,6-7,10-11,18-20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM304239 (US10143695, Compound 6A) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)N4Cc5ccc(N)cc5C4)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C43H45N11O7/c1-24-11-30-17-45-32-16-36(35(60-5)15-31(32)42(58)54(30)18-24)61-10-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-28-13-33(50(2)21-28)40(56)46-29-14-34(51(3)22-29)43(59)53-19-25-8-9-27(44)12-26(25)20-53/h8-9,12-17,21-23,30H,1,6-7,10-11,18-20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	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