Compile Data Set for Download or QSAR

Found 429 hits with Last Name = 'lowinger' and Initial = 'tb'   

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))	BDBM304254 (US10143695, Compound 78) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O |r,c:57| Show InChI InChI=1S/C46H43N11O7/c1-53-23-29(18-36(53)43(59)49-30-19-37(54(2)24-30)46(62)56-14-13-27-16-28(47)11-12-34(27)56)50-44(60)42-52-40(25-55(42)3)51-41(58)10-7-15-64-39-21-33-32(20-38(39)63-4)45(61)57-31(22-48-33)17-26-8-5-6-9-35(26)57/h5-6,8-9,11-14,16,18-25,31H,7,10,15,17,47H2,1-4H3,(H,49,59)(H,50,60)(H,51,58)/t31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	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))	BDBM304255 (US10143695, Compound 79) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ncc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C42H42N12O7/c1-23-11-28-18-44-30-16-35(34(60-5)15-29(30)41(58)53(28)19-23)61-10-6-7-37(55)48-36-22-52(4)38(49-36)40(57)47-26-13-32(50(2)20-26)39(56)46-27-14-33(51(3)21-27)42(59)54-31-9-8-25(43)12-24(31)17-45-54/h8-9,12-18,20-22,28H,1,6-7,10-11,19,43H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0900	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))	BDBM304241 (US10143695, Compound 8A) Show SMILES COC(=O)c1ccc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C |r,c:42| Show InChI InChI=1S/C45H44N10O9/c1-25-14-30-20-46-32-19-37(36(62-5)18-31(32)43(59)55(30)21-25)64-13-7-8-39(56)49-38-24-53(4)40(50-38)42(58)48-28-16-34(51(2)22-28)41(57)47-29-17-35(52(3)23-29)44(60)54-12-11-26-15-27(45(61)63-6)9-10-33(26)54/h9-12,15-20,22-24,30H,1,7-8,13-14,21H2,2-6H3,(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	0.140	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))	BDBM304234 (US10143695, Compound 8) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)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:57| Show InChI InChI=1S/C43H43N11O7/c1-24-13-29-19-45-31-18-36(35(60-5)17-30(31)42(58)54(29)20-24)61-12-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-27-15-33(50(2)21-27)40(56)46-28-16-34(51(3)22-28)43(59)53-11-10-25-14-26(44)8-9-32(25)53/h8-11,14-19,21-23,29H,1,6-7,12-13,20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	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))	BDBM304240 (US10143695, Compound 7A) Show SMILES COc1ccc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C |r,c:40| Show InChI InChI=1S/C44H44N10O8/c1-25-14-29-20-45-32-19-37(36(61-6)18-31(32)43(58)54(29)21-25)62-13-7-8-39(55)48-38-24-52(4)40(49-38)42(57)47-27-16-34(50(2)22-27)41(56)46-28-17-35(51(3)23-28)44(59)53-12-11-26-15-30(60-5)9-10-33(26)53/h9-12,15-20,22-24,29H,1,7-8,13-14,21H2,2-6H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	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))	BDBM304245 (US10143695, Compound 28) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ncc5ccc(N)cc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C42H42N12O7/c1-23-11-28-18-44-30-16-35(34(60-5)15-29(30)41(58)53(28)19-23)61-10-6-7-37(55)48-36-22-52(4)38(49-36)40(57)47-26-13-32(50(2)20-26)39(56)46-27-14-33(51(3)21-27)42(59)54-31-12-25(43)9-8-24(31)17-45-54/h8-9,12-18,20-22,28H,1,6-7,10-11,19,43H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	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	0.180	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))	BDBM304242 (US10143695, Compound 19) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(SC)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:58| Show InChI InChI=1S/C44H44N10O7S/c1-25-14-29-20-45-32-19-37(36(60-5)18-31(32)43(58)54(29)21-25)61-13-7-8-39(55)48-38-24-52(4)40(49-38)42(57)47-27-16-34(50(2)22-27)41(56)46-28-17-35(51(3)23-28)44(59)53-12-11-26-15-30(62-6)9-10-33(26)53/h9-12,15-20,22-24,29H,1,7-8,13-14,21H2,2-6H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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))	BDBM304246 (US10143695, Compound 13A) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5ccc(N)cc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C43H43N11O7/c1-24-13-29-19-45-31-18-36(35(60-5)17-30(31)42(58)54(29)20-24)61-12-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-27-15-33(50(2)21-27)40(56)46-28-16-34(51(3)22-28)43(59)53-11-10-25-8-9-26(44)14-32(25)53/h8-11,14-19,21-23,29H,1,6-7,12-13,20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.280	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))	BDBM304254 (US10143695, Compound 78) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O |r,c:57| Show InChI InChI=1S/C46H43N11O7/c1-53-23-29(18-36(53)43(59)49-30-19-37(54(2)24-30)46(62)56-14-13-27-16-28(47)11-12-34(27)56)50-44(60)42-52-40(25-55(42)3)51-41(58)10-7-15-64-39-21-33-32(20-38(39)63-4)45(61)57-31(22-48-33)17-26-8-5-6-9-35(26)57/h5-6,8-9,11-14,16,18-25,31H,7,10,15,17,47H2,1-4H3,(H,49,59)(H,50,60)(H,51,58)/t31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	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))	BDBM304240 (US10143695, Compound 7A) Show SMILES COc1ccc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C |r,c:40| Show InChI InChI=1S/C44H44N10O8/c1-25-14-29-20-45-32-19-37(36(61-6)18-31(32)43(58)54(29)21-25)62-13-7-8-39(55)48-38-24-52(4)40(49-38)42(57)47-27-16-34(50(2)22-27)41(56)46-28-17-35(51(3)23-28)44(59)53-12-11-26-15-30(60-5)9-10-33(26)53/h9-12,15-20,22-24,29H,1,7-8,13-14,21H2,2-6H3,(H,46,56)(H,47,57)(H,48,55)/t29-/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	0.300	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))	BDBM304255 (US10143695, Compound 79) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ncc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C42H42N12O7/c1-23-11-28-18-44-30-16-35(34(60-5)15-29(30)41(58)53(28)19-23)61-10-6-7-37(55)48-36-22-52(4)38(49-36)40(57)47-26-13-32(50(2)20-26)39(56)46-27-14-33(51(3)21-27)42(59)54-31-9-8-25(43)12-24(31)17-45-54/h8-9,12-18,20-22,28H,1,6-7,10-11,19,43H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	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))	BDBM304242 (US10143695, Compound 19) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(SC)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:58| Show InChI InChI=1S/C44H44N10O7S/c1-25-14-29-20-45-32-19-37(36(60-5)18-31(32)43(58)54(29)21-25)61-13-7-8-39(55)48-38-24-52(4)40(49-38)42(57)47-27-16-34(50(2)22-27)41(56)46-28-17-35(51(3)23-28)44(59)53-12-11-26-15-30(62-6)9-10-33(26)53/h9-12,15-20,22-24,29H,1,7-8,13-14,21H2,2-6H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.350	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 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))	BDBM304234 (US10143695, Compound 8) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)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:57| Show InChI InChI=1S/C43H43N11O7/c1-24-13-29-19-45-31-18-36(35(60-5)17-30(31)42(58)54(29)20-24)61-12-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-27-15-33(50(2)21-27)40(56)46-28-16-34(51(3)22-28)43(59)53-11-10-25-14-26(44)8-9-32(25)53/h8-11,14-19,21-23,29H,1,6-7,12-13,20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	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))	BDBM304241 (US10143695, Compound 8A) Show SMILES COC(=O)c1ccc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C |r,c:42| Show InChI InChI=1S/C45H44N10O9/c1-25-14-30-20-46-32-19-37(36(62-5)18-31(32)43(59)55(30)21-25)64-13-7-8-39(56)49-38-24-53(4)40(50-38)42(58)48-28-16-34(51(2)22-28)41(57)47-29-17-35(52(3)23-29)44(60)54-12-11-26-15-27(45(61)63-6)9-10-33(26)54/h9-12,15-20,22-24,30H,1,7-8,13-14,21H2,2-6H3,(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	0.550	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))	BDBM304259 (US10143695, Compound 85) Show SMILES COC(=O)c1cnc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C |r,c:42| Show InChI InChI=1S/C44H43N11O9/c1-24-12-29-19-45-31-17-35(34(62-5)16-30(31)42(59)55(29)20-24)64-11-7-8-37(56)49-36-23-53(4)39(50-36)41(58)48-27-14-32(51(2)21-27)40(57)47-28-15-33(52(3)22-28)43(60)54-10-9-25-13-26(44(61)63-6)18-46-38(25)54/h9-10,13-19,21-23,29H,1,7-8,11-12,20H2,2-6H3,(H,47,57)(H,48,58)(H,49,56)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.580	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))	BDBM304242 (US10143695, Compound 19) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(SC)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:58| Show InChI InChI=1S/C44H44N10O7S/c1-25-14-29-20-45-32-19-37(36(60-5)18-31(32)43(58)54(29)21-25)61-13-7-8-39(55)48-38-24-52(4)40(49-38)42(57)47-27-16-34(50(2)22-27)41(56)46-28-17-35(51(3)23-28)44(59)53-12-11-26-15-30(62-6)9-10-33(26)53/h9-12,15-20,22-24,29H,1,7-8,13-14,21H2,2-6H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	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))	BDBM304240 (US10143695, Compound 7A) Show SMILES COc1ccc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C |r,c:40| Show InChI InChI=1S/C44H44N10O8/c1-25-14-29-20-45-32-19-37(36(61-6)18-31(32)43(58)54(29)21-25)62-13-7-8-39(55)48-38-24-52(4)40(49-38)42(57)47-27-16-34(50(2)22-27)41(56)46-28-17-35(51(3)23-28)44(59)53-12-11-26-15-30(60-5)9-10-33(26)53/h9-12,15-20,22-24,29H,1,7-8,13-14,21H2,2-6H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	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))	BDBM304245 (US10143695, Compound 28) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ncc5ccc(N)cc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C42H42N12O7/c1-23-11-28-18-44-30-16-35(34(60-5)15-29(30)41(58)53(28)19-23)61-10-6-7-37(55)48-36-22-52(4)38(49-36)40(57)47-26-13-32(50(2)20-26)39(56)46-27-14-33(51(3)21-27)42(59)54-31-12-25(43)9-8-24(31)17-45-54/h8-9,12-18,20-22,28H,1,6-7,10-11,19,43H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	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))	BDBM304254 (US10143695, Compound 78) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O |r,c:57| Show InChI InChI=1S/C46H43N11O7/c1-53-23-29(18-36(53)43(59)49-30-19-37(54(2)24-30)46(62)56-14-13-27-16-28(47)11-12-34(27)56)50-44(60)42-52-40(25-55(42)3)51-41(58)10-7-15-64-39-21-33-32(20-38(39)63-4)45(61)57-31(22-48-33)17-26-8-5-6-9-35(26)57/h5-6,8-9,11-14,16,18-25,31H,7,10,15,17,47H2,1-4H3,(H,49,59)(H,50,60)(H,51,58)/t31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.630	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))	BDBM304255 (US10143695, Compound 79) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ncc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C42H42N12O7/c1-23-11-28-18-44-30-16-35(34(60-5)15-29(30)41(58)53(28)19-23)61-10-6-7-37(55)48-36-22-52(4)38(49-36)40(57)47-26-13-32(50(2)20-26)39(56)46-27-14-33(51(3)21-27)42(59)54-31-9-8-25(43)12-24(31)17-45-54/h8-9,12-18,20-22,28H,1,6-7,10-11,19,43H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.660	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))	BDBM304258 (US10143695, Compound 84) Show SMILES Cn1cc(NC(=O)c2nc(NC(=O)CCCOc3cc4N=C[C@@H]5CC(=C)CN5C(=O)c4cc3O)cn2C)cc1C(=O)Nc1cnc2[nH]ccc2c1 |r,c:20| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.660	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))	BDBM304244 (US10143695, Compound 11A) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5c(N)cccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C43H43N11O7/c1-24-14-27-19-45-31-18-36(35(60-5)17-29(31)42(58)54(27)20-24)61-13-7-10-38(55)48-37-23-52(4)39(49-37)41(57)47-25-15-33(50(2)21-25)40(56)46-26-16-34(51(3)22-26)43(59)53-12-11-28-30(44)8-6-9-32(28)53/h6,8-9,11-12,15-19,21-23,27H,1,7,10,13-14,20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.670	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))	BDBM304246 (US10143695, Compound 13A) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5ccc(N)cc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C43H43N11O7/c1-24-13-29-19-45-31-18-36(35(60-5)17-30(31)42(58)54(29)20-24)61-12-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-27-15-33(50(2)21-27)40(56)46-28-16-34(51(3)22-28)43(59)53-11-10-25-8-9-26(44)14-32(25)53/h8-11,14-19,21-23,29H,1,6-7,12-13,20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	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))	BDBM304241 (US10143695, Compound 8A) Show SMILES COC(=O)c1ccc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C |r,c:42| Show InChI InChI=1S/C45H44N10O9/c1-25-14-30-20-46-32-19-37(36(62-5)18-31(32)43(59)55(30)21-25)64-13-7-8-39(56)49-38-24-53(4)40(50-38)42(58)48-28-16-34(51(2)22-28)41(57)47-29-17-35(52(3)23-29)44(60)54-12-11-26-15-27(45(61)63-6)9-10-33(26)54/h9-12,15-20,22-24,30H,1,7-8,13-14,21H2,2-6H3,(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	0.830	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))	BDBM304234 (US10143695, Compound 8) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)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:57| Show InChI InChI=1S/C43H43N11O7/c1-24-13-29-19-45-31-18-36(35(60-5)17-30(31)42(58)54(29)20-24)61-12-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-27-15-33(50(2)21-27)40(56)46-28-16-34(51(3)22-28)43(59)53-11-10-25-14-26(44)8-9-32(25)53/h8-11,14-19,21-23,29H,1,6-7,12-13,20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.840	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))	BDBM304259 (US10143695, Compound 85) Show SMILES COC(=O)c1cnc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C |r,c:42| Show InChI InChI=1S/C44H43N11O9/c1-24-12-29-19-45-31-17-35(34(62-5)16-30(31)42(59)55(29)20-24)64-11-7-8-37(56)49-36-23-53(4)39(50-36)41(58)48-27-14-32(51(2)21-27)40(57)47-28-15-33(52(3)22-28)43(60)54-10-9-25-13-26(44(61)63-6)18-46-38(25)54/h9-10,13-19,21-23,29H,1,7-8,11-12,20H2,2-6H3,(H,47,57)(H,48,58)(H,49,56)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.970	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))	BDBM304238 (US10143695, Compound 5A) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)N3Cc4ccc(N)cc4C3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:47| Show InChI InChI=1S/C37H39N9O6/c1-21-10-26-15-39-28-14-31(30(51-4)13-27(28)36(49)46(26)16-21)52-9-5-6-33(47)41-32-20-44(3)34(42-32)35(48)40-25-12-29(43(2)19-25)37(50)45-17-22-7-8-24(38)11-23(22)18-45/h7-8,11-15,19-20,26H,1,5-6,9-10,16-18,38H2,2-4H3,(H,40,48)(H,41,47)/t26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.970	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))	BDBM304245 (US10143695, Compound 28) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ncc5ccc(N)cc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C42H42N12O7/c1-23-11-28-18-44-30-16-35(34(60-5)15-29(30)41(58)53(28)19-23)61-10-6-7-37(55)48-36-22-52(4)38(49-36)40(57)47-26-13-32(50(2)20-26)39(56)46-27-14-33(51(3)21-27)42(59)54-31-12-25(43)9-8-24(31)17-45-54/h8-9,12-18,20-22,28H,1,6-7,10-11,19,43H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.02	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))	BDBM304254 (US10143695, Compound 78) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O |r,c:57| Show InChI InChI=1S/C46H43N11O7/c1-53-23-29(18-36(53)43(59)49-30-19-37(54(2)24-30)46(62)56-14-13-27-16-28(47)11-12-34(27)56)50-44(60)42-52-40(25-55(42)3)51-41(58)10-7-15-64-39-21-33-32(20-38(39)63-4)45(61)57-31(22-48-33)17-26-8-5-6-9-35(26)57/h5-6,8-9,11-14,16,18-25,31H,7,10,15,17,47H2,1-4H3,(H,49,59)(H,50,60)(H,51,58)/t31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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))	BDBM304240 (US10143695, Compound 7A) Show SMILES COc1ccc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C |r,c:40| Show InChI InChI=1S/C44H44N10O8/c1-25-14-29-20-45-32-19-37(36(61-6)18-31(32)43(58)54(29)21-25)62-13-7-8-39(55)48-38-24-52(4)40(49-38)42(57)47-27-16-34(50(2)22-27)41(56)46-28-17-35(51(3)23-28)44(59)53-12-11-26-15-30(60-5)9-10-33(26)53/h9-12,15-20,22-24,29H,1,7-8,13-14,21H2,2-6H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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))	BDBM304242 (US10143695, Compound 19) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(SC)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:58| Show InChI InChI=1S/C44H44N10O7S/c1-25-14-29-20-45-32-19-37(36(60-5)18-31(32)43(58)54(29)21-25)61-13-7-8-39(55)48-38-24-52(4)40(49-38)42(57)47-27-16-34(50(2)22-27)41(56)46-28-17-35(51(3)23-28)44(59)53-12-11-26-15-30(62-6)9-10-33(26)53/h9-12,15-20,22-24,29H,1,7-8,13-14,21H2,2-6H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.34	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))	BDBM304253 (US10143695, Compound 77) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)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:57| Show InChI InChI=1S/C43H45N11O7/c1-24-13-29-19-45-31-18-36(35(60-5)17-30(31)42(58)54(29)20-24)61-12-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-27-15-33(50(2)21-27)40(56)46-28-16-34(51(3)22-28)43(59)53-11-10-25-14-26(44)8-9-32(25)53/h8-9,14-19,21-23,29H,1,6-7,10-13,20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	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))	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 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))	BDBM304258 (US10143695, Compound 84) Show SMILES Cn1cc(NC(=O)c2nc(NC(=O)CCCOc3cc4N=C[C@@H]5CC(=C)CN5C(=O)c4cc3O)cn2C)cc1C(=O)Nc1cnc2[nH]ccc2c1 |r,c:20| Show InChI	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))	BDBM304244 (US10143695, Compound 11A) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5c(N)cccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57| Show InChI InChI=1S/C43H43N11O7/c1-24-14-27-19-45-31-18-36(35(60-5)17-29(31)42(58)54(27)20-24)61-13-7-10-38(55)48-37-23-52(4)39(49-37)41(57)47-25-15-33(50(2)21-25)40(56)46-26-16-34(51(3)22-26)43(59)53-12-11-28-30(44)8-6-9-32(28)53/h6,8-9,11-12,15-19,21-23,27H,1,7,10,13-14,20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t27-/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	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 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
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50344356 (CHEMBL1779676 | ethyl 3-(3-(7-hydroxynaphthalen-1-...) Show SMILES CCOC(=O)c1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1 Show InChI InChI=1S/C20H18N2O4/c1-2-26-19(24)14-6-3-7-15(11-14)21-20(25)22-18-8-4-5-13-9-10-16(23)12-17(13)18/h3-12,23H,2H2,1H3,(H2,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-i...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50344356 (CHEMBL1779676 | ethyl 3-(3-(7-hydroxynaphthalen-1-...) Show SMILES CCOC(=O)c1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1 Show InChI InChI=1S/C20H18N2O4/c1-2-26-19(24)14-6-3-7-15(11-14)21-20(25)22-18-8-4-5-13-9-10-16(23)12-17(13)18/h3-12,23H,2H2,1H3,(H2,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM304254 (US10143695, Compound 78) Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O |r,c:57| Show InChI InChI=1S/C46H43N11O7/c1-53-23-29(18-36(53)43(59)49-30-19-37(54(2)24-30)46(62)56-14-13-27-16-28(47)11-12-34(27)56)50-44(60)42-52-40(25-55(42)3)51-41(58)10-7-15-64-39-21-33-32(20-38(39)63-4)45(61)57-31(22-48-33)17-26-8-5-6-9-35(26)57/h5-6,8-9,11-14,16,18-25,31H,7,10,15,17,47H2,1-4H3,(H,49,59)(H,50,60)(H,51,58)/t31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	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
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50344367 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(7-hydrox...) Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C18H12ClF3N2O2/c19-15-7-5-11(8-14(15)18(20,21)22)23-17(26)24-16-3-1-2-10-4-6-12(25)9-13(10)16/h1-9,25H,(H2,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-i...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					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 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))	BDBM304249 (US10143695, Compound 55) 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]1CC(=C)CN1C2=O |r,c:50| Show InChI InChI=1S/C39H45N9O8/c1-23-12-27-18-41-29-17-34(33(55-5)16-28(29)39(54)48(27)19-23)56-11-6-8-35(50)42-24-13-31(46(3)20-24)37(52)44-26-15-32(47(4)22-26)38(53)43-25-14-30(45(2)21-25)36(51)40-9-7-10-49/h13-18,20-22,27,49H,1,6-12,19H2,2-5H3,(H,40,51)(H,42,50)(H,43,53)(H,44,52)/t27-/m1/s1	PDB MMDB UniProtKB/SwissProt 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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50091927 (1-(2,6-Dichloro-phenyl)-1-(4'-fluoro-6-hydroxymeth...) Show SMILES Cc1cc(F)ccc1-c1cc(ccc1CO)N(C(N)=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C21H17Cl2FN2O2/c1-12-9-14(24)6-8-16(12)17-10-15(7-5-13(17)11-27)26(21(25)28)20-18(22)3-2-4-19(20)23/h2-10,27H,11H2,1H3,(H2,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 expressed in E. coli.				Bioorg Med Chem Lett 10: 2047-50 (2000) BindingDB Entry DOI: 10.7270/Q2FB526H
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 429 total )  |  Next  |  Last  >>

Jump to: