Compile Data Set for Download or QSAR

Found 232 hits Enz. Inhib. hit(s) with all data for entry = 1884   

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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50581985 (CHEMBL5077767) Show SMILES CCN(CC)c1ccc(CNc2nc(N3CCN(CC3)C(=O)c3ccccc3)c3ncn(CCCN4CCN(CC)CC4)c3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00532 BindingDB Entry DOI: 10.7270/Q2Z89H9Q
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510247 (CHEMBL4461116) Show SMILES Cc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H22N6O/c1-17-3-5-18(6-4-17)19-7-8-22-20(13-19)23(21(14-27-22)24-29-28-16-31-24)26-9-2-11-30-12-10-25-15-30/h3-8,10,12-16H,2,9,11H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Top1 in human MCF7 cells using supercoiled pBS (SK+) DNA as substrate incubated for 30 mins by ethidium bromide staining based agarose ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112551 BindingDB Entry DOI: 10.7270/Q2D79G56
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510247 (CHEMBL4461116) Show SMILES Cc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H22N6O/c1-17-3-5-18(6-4-17)19-7-8-22-20(13-19)23(21(14-27-22)24-29-28-16-31-24)26-9-2-11-30-12-10-25-15-30/h3-8,10,12-16H,2,9,11H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at TOP1 in human MCF7 cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA mobility measured after 30 mins by ethidium brom...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510237 (CHEMBL4474022) Show SMILES COc1cccc(c1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H22N6O2/c1-31-19-5-2-4-17(12-19)18-6-7-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)26-8-3-10-30-11-9-25-15-30/h2,4-7,9,11-16H,3,8,10H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at TOP1 in human MCF7 cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA mobility measured after 30 mins by ethidium brom...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50527953 (CHEMBL4541672) Show SMILES CCN1CCN(CCCn2cnc3c(ncnc23)N2CCN(CC)CC2)CC1 Show InChI InChI=1S/C20H34N8/c1-3-24-8-10-26(11-9-24)6-5-7-28-17-23-18-19(21-16-22-20(18)28)27-14-12-25(4-2)13-15-27/h16-17H,3-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as inhibition of CL264-induced NFkappaB activation by measuring reduction in S...				J Med Chem 63: 4776-4789 (2020) Article DOI: 10.1021/acs.jmedchem.0c00011 BindingDB Entry DOI: 10.7270/Q2NK3JGD
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50527953 (CHEMBL4541672) Show SMILES CCN1CCN(CCCn2cnc3c(ncnc23)N2CCN(CC)CC2)CC1 Show InChI InChI=1S/C20H34N8/c1-3-24-8-10-26(11-9-24)6-5-7-28-17-23-18-19(21-16-22-20(18)28)27-14-12-25(4-2)13-15-27/h16-17H,3-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation measured after overni...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00532 BindingDB Entry DOI: 10.7270/Q2Z89H9Q
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50581991 (CHEMBL5087172) Show SMILES Nc1nc(N2CCN(CC2)C2CCCC2)c2ncn(CCCN3CCCC3)c2n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation measured after overni...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00532 BindingDB Entry DOI: 10.7270/Q2Z89H9Q
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50581990 (CHEMBL5075899) Show SMILES CCN1CCN(CC1)c1nc(N)nc2n(CCCN3CCCC3)cnc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation measured after overni...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00532 BindingDB Entry DOI: 10.7270/Q2Z89H9Q
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50581972 (CHEMBL5089259) Show SMILES CCN1CCN(CCCn2cnc3c(nc(NCc4ccc(OC)cc4)nc23)N2CCN(CC)CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation measured after overni...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00532 BindingDB Entry DOI: 10.7270/Q2Z89H9Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070757 (CHEMBL2372733 | Nazumamide A (NAZA) analogue) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O Show InChI InChI=1S/C31H43N5O8/c1-4-18(2)26(30(42)35-24(16-20-10-6-5-7-11-20)29(41)33-19(3)31(43)44)36-28(40)23(12-8-9-15-32)34-27(39)22-17-21(37)13-14-25(22)38/h5-7,10-11,13-14,17-19,23-24,26,37-38H,4,8-9,12,15-16,32H2,1-3H3,(H,33,41)(H,34,39)(H,35,42)(H,36,40)(H,43,44)/t18?,19-,23+,24+,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	8.3	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.				Bioorg Med Chem Lett 8: 1669-72 (1999) BindingDB Entry DOI: 10.7270/Q2G73CV8
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50527954 (CHEMBL4465440) Show SMILES CCN1CCN(CCCn2cnc3c(ncnc23)N2CCN(CC2)C2CCCC2)CC1 Show InChI InChI=1S/C23H38N8/c1-2-27-10-12-28(13-11-27)8-5-9-31-19-26-21-22(24-18-25-23(21)31)30-16-14-29(15-17-30)20-6-3-4-7-20/h18-20H,2-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as inhibition of CL264-induced NFkappaB activation by measuring reduction in S...				J Med Chem 63: 4776-4789 (2020) Article DOI: 10.1021/acs.jmedchem.0c00011 BindingDB Entry DOI: 10.7270/Q2NK3JGD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070767 (CHEMBL2372663 | Nazumamide A (NAZA) analogue) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O Show InChI InChI=1S/C33H46N6O9/c1-3-19(2)28(39-30(44)23(11-7-8-16-34)36-29(43)22-18-21(40)12-14-26(22)41)32(46)38-25(17-20-9-5-4-6-10-20)31(45)37-24(33(47)48)13-15-27(35)42/h4-6,9-10,12,14,18-19,23-25,28,40-41H,3,7-8,11,13,15-17,34H2,1-2H3,(H2,35,42)(H,36,43)(H,37,45)(H,38,46)(H,39,44)(H,47,48)/t19?,23-,24-,25-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	8.3	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.				Bioorg Med Chem Lett 8: 1669-72 (1999) BindingDB Entry DOI: 10.7270/Q2G73CV8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070713 (CHEMBL2372657 | Nazumamide A (NAZA) analogue) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(O)=O Show InChI InChI=1S/C33H47N5O8S/c1-4-20(2)28(38-30(42)24(12-8-9-16-34)35-29(41)23-19-22(39)13-14-27(23)40)32(44)37-26(18-21-10-6-5-7-11-21)31(43)36-25(33(45)46)15-17-47-3/h5-7,10-11,13-14,19-20,24-26,28,39-40H,4,8-9,12,15-18,34H2,1-3H3,(H,35,41)(H,36,43)(H,37,44)(H,38,42)(H,45,46)/t20?,24-,25-,26-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	8.3	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.				Bioorg Med Chem Lett 8: 1669-72 (1999) BindingDB Entry DOI: 10.7270/Q2G73CV8
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50581980 (CHEMBL5086543) Show SMILES CCN1CCN(CCCn2cnc3c(nc(NC(=O)c4ccc(CN(C)C)cc4)nc23)N2CCN(CC2)C2CCCC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation measured after overni...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00532 BindingDB Entry DOI: 10.7270/Q2Z89H9Q
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50581971 (CHEMBL5087425) Show SMILES CCN1CCN(CCCn2cnc3c(nc(NCc4ccccc4)nc23)N2CCN(CC)CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation measured after overni...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00532 BindingDB Entry DOI: 10.7270/Q2Z89H9Q
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50581975 (CHEMBL5091450) Show SMILES CCN1CCN(CCCn2cnc3c(nc(NC(=O)c4ccccc4)nc23)N2CCN(CC)CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation measured after overni...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00532 BindingDB Entry DOI: 10.7270/Q2Z89H9Q
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50581979 (CHEMBL5078384) Show SMILES CCN(CC)c1ccc(CNc2nc(N3CCN(CC3)C3CCCC3)c3ncn(CCCN4CCN(CC)CC4)c3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation measured after overni...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00532 BindingDB Entry DOI: 10.7270/Q2Z89H9Q
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50581985 (CHEMBL5077767) Show SMILES CCN(CC)c1ccc(CNc2nc(N3CCN(CC3)C(=O)c3ccccc3)c3ncn(CCCN4CCN(CC)CC4)c3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation measured after overni...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00532 BindingDB Entry DOI: 10.7270/Q2Z89H9Q
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50581976 (CHEMBL5078099) Show SMILES CCN1CCN(CCCn2cnc3c(nc(nc23)N2CCCC2)N2CCN(CC)CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation measured after overni...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00532 BindingDB Entry DOI: 10.7270/Q2Z89H9Q
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | acs.jmedchem.1c0...) Show SMILES CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as inhibition of CL264-induced NFkappaB activation by measuring reduction in S...				J Med Chem 63: 4776-4789 (2020) Article DOI: 10.1021/acs.jmedchem.0c00011 BindingDB Entry DOI: 10.7270/Q2NK3JGD
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50581989 (CHEMBL5080514) Show SMILES CCN(CC)c1ccc(CNc2nc(N3CCN(CC3)C(=O)C3CCCC3)c3ncn(CCCN4CCN(CC)CC4)c3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnig...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00532 BindingDB Entry DOI: 10.7270/Q2Z89H9Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070730 (CHEMBL2372736 | Nazumamide A (NAZA) analogue) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C34H49N5O8/c1-5-21(4)29(39-31(43)25(13-9-10-16-35)36-30(42)24-19-23(40)14-15-28(24)41)33(45)37-26(18-22-11-7-6-8-12-22)32(44)38-27(34(46)47)17-20(2)3/h6-8,11-12,14-15,19-21,25-27,29,40-41H,5,9-10,13,16-18,35H2,1-4H3,(H,36,42)(H,37,45)(H,38,44)(H,39,43)(H,46,47)/t21?,25-,26-,27+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	8.3	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.				Bioorg Med Chem Lett 8: 1669-72 (1999) BindingDB Entry DOI: 10.7270/Q2G73CV8
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50581965 (CHEMBL5094930) Show SMILES CN(C)Cc1ccc(CNc2nc(N3CCN(CC3)C3CCCC3)c3ncn(CCCN4CCCC4)c3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation measured after overni...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00532 BindingDB Entry DOI: 10.7270/Q2Z89H9Q
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50581989 (CHEMBL5080514) Show SMILES CCN(CC)c1ccc(CNc2nc(N3CCN(CC3)C(=O)C3CCCC3)c3ncn(CCCN4CCN(CC)CC4)c3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation measured after overni...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00532 BindingDB Entry DOI: 10.7270/Q2Z89H9Q
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510251 (CHEMBL4585353) Show SMILES C(CNc1c(cnc2ccc(cc12)-c1ccccc1)-c1nnco1)Cn1ccnc1 Show InChI InChI=1S/C23H20N6O/c1-2-5-17(6-3-1)18-7-8-21-19(13-18)22(20(14-26-21)23-28-27-16-30-23)25-9-4-11-29-12-10-24-15-29/h1-3,5-8,10,12-16H,4,9,11H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510244 (CHEMBL4519022) Show SMILES COc1ccc(c(C)c1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C25H24N6O2/c1-17-12-19(32-2)5-6-20(17)18-4-7-23-21(13-18)24(22(14-28-23)25-30-29-16-33-25)27-8-3-10-31-11-9-26-15-31/h4-7,9,11-16H,3,8,10H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50565243 (CHEMBL4797492) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3cccc3)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Top1 expressed in baculovirus infected sf9 insect cells using supercoiled pBS (SK+) DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112551 BindingDB Entry DOI: 10.7270/Q2D79G56
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50565244 (CHEMBL4784638) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCN3CCCC3)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Top1 expressed in baculovirus infected sf9 insect cells using supercoiled pBS (SK+) DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112551 BindingDB Entry DOI: 10.7270/Q2D79G56
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510256 (CHEMBL4471822) Show SMILES Fc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C23H19FN6O/c24-18-5-2-16(3-6-18)17-4-7-21-19(12-17)22(20(13-27-21)23-29-28-15-31-23)26-8-1-10-30-11-9-25-14-30/h2-7,9,11-15H,1,8,10H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Top1 expressed in baculovirus infected sf9 insect cells using supercoiled pBS (SK+) DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112551 BindingDB Entry DOI: 10.7270/Q2D79G56
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510252 (CHEMBL4475664) Show SMILES N#Cc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H19N7O/c25-13-17-2-4-18(5-3-17)19-6-7-22-20(12-19)23(21(14-28-22)24-30-29-16-32-24)27-8-1-10-31-11-9-26-15-31/h2-7,9,11-12,14-16H,1,8,10H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Top1 expressed in baculovirus infected sf9 insect cells using supercoiled pBS (SK+) DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112551 BindingDB Entry DOI: 10.7270/Q2D79G56
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510240 (CHEMBL4462070) Show SMILES Oc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C23H20N6O2/c30-18-5-2-16(3-6-18)17-4-7-21-19(12-17)22(20(13-26-21)23-28-27-15-31-23)25-8-1-10-29-11-9-24-14-29/h2-7,9,11-15,30H,1,8,10H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Top1 expressed in baculovirus infected sf9 insect cells using supercoiled pBS (SK+) DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112551 BindingDB Entry DOI: 10.7270/Q2D79G56
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510251 (CHEMBL4585353) Show SMILES C(CNc1c(cnc2ccc(cc12)-c1ccccc1)-c1nnco1)Cn1ccnc1 Show InChI InChI=1S/C23H20N6O/c1-2-5-17(6-3-1)18-7-8-21-19(13-18)22(20(14-26-21)23-28-27-16-30-23)25-9-4-11-29-12-10-24-15-29/h1-3,5-8,10,12-16H,4,9,11H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Top1 expressed in baculovirus infected sf9 insect cells using supercoiled pBS (SK+) DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112551 BindingDB Entry DOI: 10.7270/Q2D79G56
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510252 (CHEMBL4475664) Show SMILES N#Cc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H19N7O/c25-13-17-2-4-18(5-3-17)19-6-7-22-20(12-19)23(21(14-28-22)24-30-29-16-32-24)27-8-1-10-31-11-9-26-15-31/h2-7,9,11-12,14-16H,1,8,10H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510250 (CHEMBL4534576) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCn3ccnc3)c2c1 Show InChI InChI=1S/C23H20N6O2/c1-30-18-5-2-16(3-6-18)17-4-7-21-19(12-17)22(25-9-11-29-10-8-24-14-29)20(13-26-21)23-28-27-15-31-23/h2-8,10,12-15H,9,11H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510260 (CHEMBL4483636) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnc(C)o3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C25H24N6O2/c1-17-29-30-25(33-17)22-15-28-23-9-6-19(18-4-7-20(32-2)8-5-18)14-21(23)24(22)27-10-3-12-31-13-11-26-16-31/h4-9,11,13-16H,3,10,12H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510259 (CHEMBL4558621) Show SMILES COc1ccc(cc1OC)-c1ccc2ncc(-c3nnco3)c(NCCN3CCOCC3)c2c1 Show InChI InChI=1S/C25H27N5O4/c1-31-22-6-4-18(14-23(22)32-2)17-3-5-21-19(13-17)24(20(15-27-21)25-29-28-16-34-25)26-7-8-30-9-11-33-12-10-30/h3-6,13-16H,7-12H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510248 (CHEMBL4575083) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnc(C)o3)c(NCCN3CCOCC3)c2c1 Show InChI InChI=1S/C25H27N5O3/c1-17-28-29-25(33-17)22-16-27-23-8-5-19(18-3-6-20(31-2)7-4-18)15-21(23)24(22)26-9-10-30-11-13-32-14-12-30/h3-8,15-16H,9-14H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510246 (CHEMBL4531237) Show SMILES CNc1c(cnc2ccc(cc12)-c1ccc(OC)cc1)-c1nnco1 Show InChI InChI=1S/C19H16N4O2/c1-20-18-15-9-13(12-3-6-14(24-2)7-4-12)5-8-17(15)21-10-16(18)19-23-22-11-25-19/h3-11H,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510258 (CHEMBL4545043) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnc(N)o3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H23N7O2/c1-32-18-6-3-16(4-7-18)17-5-8-21-19(13-17)22(27-9-2-11-31-12-10-26-15-31)20(14-28-21)23-29-30-24(25)33-23/h3-8,10,12-15H,2,9,11H2,1H3,(H2,25,30)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510257 (CHEMBL4586825) Show SMILES COc1ccc(c(OC)c1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C25H24N6O3/c1-32-18-5-6-19(23(13-18)33-2)17-4-7-22-20(12-17)24(21(14-28-22)25-30-29-16-34-25)27-8-3-10-31-11-9-26-15-31/h4-7,9,11-16H,3,8,10H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510245 (CHEMBL4441154) Show SMILES CCOC(=O)c1cnc2ccc(cc2c1NCCCn1ccnc1)-c1ccc(OC)cc1 Show InChI InChI=1S/C25H26N4O3/c1-3-32-25(30)22-16-28-23-10-7-19(18-5-8-20(31-2)9-6-18)15-21(23)24(22)27-11-4-13-29-14-12-26-17-29/h5-10,12,14-17H,3-4,11,13H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510256 (CHEMBL4471822) Show SMILES Fc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C23H19FN6O/c24-18-5-2-16(3-6-18)17-4-7-21-19(12-17)22(20(13-27-21)23-29-28-15-31-23)26-8-1-10-30-11-9-25-14-30/h2-7,9,11-15H,1,8,10H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510255 (CHEMBL4465971) Show SMILES Cc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCN3CCOCC3)c2c1 Show InChI InChI=1S/C25H27N5O2/c1-18-3-5-19(6-4-18)20-7-8-23-21(15-20)24(22(16-27-23)25-29-28-17-32-25)26-9-2-10-30-11-13-31-14-12-30/h3-8,15-17H,2,9-14H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510254 (CHEMBL4459266) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCN3CCOCC3)c2c1 Show InChI InChI=1S/C24H25N5O3/c1-30-19-5-2-17(3-6-19)18-4-7-22-20(14-18)23(21(15-26-22)24-28-27-16-32-24)25-8-9-29-10-12-31-13-11-29/h2-7,14-16H,8-13H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510253 (CHEMBL4445277) Show SMILES COc1ccc(cc1OC)-c1ccc2ncc(-c3nnc(C)o3)c(NCCN3CCOCC3)c2c1 Show InChI InChI=1S/C26H29N5O4/c1-17-29-30-26(35-17)21-16-28-22-6-4-18(19-5-7-23(32-2)24(15-19)33-3)14-20(22)25(21)27-8-9-31-10-12-34-13-11-31/h4-7,14-16H,8-13H2,1-3H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510236 (CHEMBL4570067) Show SMILES COc1ccc(cc1OC)-c1ccc2ncc(-c3nnco3)c(NCCCN3CCOCC3)c2c1 Show InChI InChI=1S/C26H29N5O4/c1-32-23-7-5-19(15-24(23)33-2)18-4-6-22-20(14-18)25(21(16-28-22)26-30-29-17-35-26)27-8-3-9-31-10-12-34-13-11-31/h4-7,14-17H,3,8-13H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510238 (CHEMBL4468407) Show SMILES CCOC(=O)c1cnc2ccc(cc2c1NCCCn1ccnc1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C26H28N4O4/c1-4-34-26(31)21-16-29-22-8-6-18(19-7-9-23(32-2)24(15-19)33-3)14-20(22)25(21)28-10-5-12-30-13-11-27-17-30/h6-9,11,13-17H,4-5,10,12H2,1-3H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510240 (CHEMBL4462070) Show SMILES Oc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C23H20N6O2/c30-18-5-2-16(3-6-18)17-4-7-21-19(12-17)22(20(13-26-21)23-28-27-15-31-23)25-8-1-10-29-11-9-24-14-29/h2-7,9,11-15,30H,1,8,10H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510241 (CHEMBL4457850) Show SMILES COc1ccccc1-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H22N6O2/c1-31-22-6-3-2-5-18(22)17-7-8-21-19(13-17)23(20(14-27-21)24-29-28-16-32-24)26-9-4-11-30-12-10-25-15-30/h2-3,5-8,10,12-16H,4,9,11H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510242 (CHEMBL4442287) Show SMILES COc1ccc(cc1OC)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C25H24N6O3/c1-32-22-7-5-18(13-23(22)33-2)17-4-6-21-19(12-17)24(20(14-28-21)25-30-29-16-34-25)27-8-3-10-31-11-9-26-15-31/h4-7,9,11-16H,3,8,10H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair

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