BDBM304235 US10143695, Compound 12

SMILES: COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)n3ccc4cc(N)ccc34)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O

InChI Key: InChIKey=NZQVMAWSDHLMAQ-VWLOTQADSA-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 = 304235   

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))	BDBM304235 (US10143695, Compound 12) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)n3ccc4cc(N)ccc34)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:47| Show InChI InChI=1S/C37H37N9O6/c1-21-12-25-17-39-27-16-31(30(51-4)15-26(27)36(49)46(25)18-21)52-11-5-6-33(47)41-32-20-44(3)34(42-32)35(48)40-24-14-29(43(2)19-24)37(50)45-10-9-22-13-23(38)7-8-28(22)45/h7-10,13-17,19-20,25H,1,5-6,11-12,18,38H2,2-4H3,(H,40,48)(H,41,47)/t25-/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	2	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))	BDBM304235 (US10143695, Compound 12) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)n3ccc4cc(N)ccc34)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:47| Show InChI InChI=1S/C37H37N9O6/c1-21-12-25-17-39-27-16-31(30(51-4)15-26(27)36(49)46(25)18-21)52-11-5-6-33(47)41-32-20-44(3)34(42-32)35(48)40-24-14-29(43(2)19-24)37(50)45-10-9-22-13-23(38)7-8-28(22)45/h7-10,13-17,19-20,25H,1,5-6,11-12,18,38H2,2-4H3,(H,40,48)(H,41,47)/t25-/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	0.400	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))	BDBM304235 (US10143695, Compound 12) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)n3ccc4cc(N)ccc34)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:47| Show InChI InChI=1S/C37H37N9O6/c1-21-12-25-17-39-27-16-31(30(51-4)15-26(27)36(49)46(25)18-21)52-11-5-6-33(47)41-32-20-44(3)34(42-32)35(48)40-24-14-29(43(2)19-24)37(50)45-10-9-22-13-23(38)7-8-28(22)45/h7-10,13-17,19-20,25H,1,5-6,11-12,18,38H2,2-4H3,(H,40,48)(H,41,47)/t25-/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	13.9	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))	BDBM304235 (US10143695, Compound 12) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)n3ccc4cc(N)ccc34)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:47| Show InChI InChI=1S/C37H37N9O6/c1-21-12-25-17-39-27-16-31(30(51-4)15-26(27)36(49)46(25)18-21)52-11-5-6-33(47)41-32-20-44(3)34(42-32)35(48)40-24-14-29(43(2)19-24)37(50)45-10-9-22-13-23(38)7-8-28(22)45/h7-10,13-17,19-20,25H,1,5-6,11-12,18,38H2,2-4H3,(H,40,48)(H,41,47)/t25-/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	4.40	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))	BDBM304235 (US10143695, Compound 12) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)n3ccc4cc(N)ccc34)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:47| Show InChI InChI=1S/C37H37N9O6/c1-21-12-25-17-39-27-16-31(30(51-4)15-26(27)36(49)46(25)18-21)52-11-5-6-33(47)41-32-20-44(3)34(42-32)35(48)40-24-14-29(43(2)19-24)37(50)45-10-9-22-13-23(38)7-8-28(22)45/h7-10,13-17,19-20,25H,1,5-6,11-12,18,38H2,2-4H3,(H,40,48)(H,41,47)/t25-/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	7	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