Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'kundu' and Initial = 'b'   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185219 ((S)-3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(quinu...) Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CN4CCC3CC4)c2c1 |wU:20.21,TLB:19:20:24.23:26.27,(4.27,-32.71,;5.6,-33.48,;5.6,-35.02,;6.93,-35.79,;8.27,-35.03,;9.61,-35.79,;10.95,-35.01,;12.28,-35.78,;10.94,-33.46,;12.27,-32.69,;13.68,-33.32,;14.7,-32.18,;16.24,-32.18,;17.02,-30.84,;16.23,-29.5,;14.69,-29.51,;13.93,-30.84,;12.43,-31.16,;9.59,-32.69,;9.59,-31.15,;8.64,-29.94,;8.36,-28.54,;7.01,-27.94,;5.55,-28.58,;5.74,-29.96,;7.27,-29.3,;7.53,-27.41,;7.08,-26.31,;8.26,-33.47,;6.93,-32.71,)| Show InChI InChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19H,7-10,12H2,(H,26,27)(H2,25,28,30)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114304 BindingDB Entry DOI: 10.7270/Q25B06GC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 9 (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	7	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))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O |r| Show InChI InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	21	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				3D Structure (crystal)
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O |r| Show InChI InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	21	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				3D Structure (crystal)
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50565242 (CHEMBL4791048) Show SMILES Nc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	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))	BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	25	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				3D Structure (crystal)
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	25	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				3D Structure (crystal)
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510239 (CHEMBL4454135) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H22N6O2/c1-31-19-6-3-17(4-7-19)18-5-8-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)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	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114304 BindingDB Entry DOI: 10.7270/Q25B06GC
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510239 (CHEMBL4454135) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H22N6O2/c1-31-19-6-3-17(4-7-19)18-5-8-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)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	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	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))	BDBM50510239 (CHEMBL4454135) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H22N6O2/c1-31-19-6-3-17(4-7-19)18-5-8-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)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	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50581969 (CHEMBL5078399) Show SMILES CCN1CCN(CC1)c1nc(NCc2ccc(F)cc2)nc2n(CCCN3CCCC3)cnc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	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
Toll-like receptor 9 (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	60	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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50581992 (CHEMBL5088130) Show SMILES CCN1CCN(CC1)c1nc(NCc2ccc(OC)cc2)nc2n(CCCN3CCCC3)cnc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50581966 (CHEMBL5091556) Show SMILES CCN1CCN(CC1)c1nc(NCc2ccc(CN(C)C)cc2)nc2n(CCCN3CCCC3)cnc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50581967 (CHEMBL5074861) Show SMILES Fc1ccc(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	100	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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50581977 (CHEMBL5092134) Show SMILES CCN1CCN(CCCn2cnc3c(nc(NCc4ccc(OC)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	120	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
Toll-like receptor 9 (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	120	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
Toll-like receptor 9 (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	140	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
Toll-like receptor 9 (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	150	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
Toll-like receptor 9 (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	190	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
Toll-like receptor 9 (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	200	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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50581968 (CHEMBL5087096) Show SMILES COc1ccc(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	240	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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50581978 (CHEMBL5082124) Show SMILES CCN1CCN(CCCn2cnc3c(nc(NCc4ccc(F)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	250	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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50581993 (CHEMBL5079289) Show SMILES CCN1CCN(CCCn2cnc3c(nc(N)nc23)N2CCN(CC)CC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50581970 (CHEMBL5076481) Show SMILES CCN1CCN(CCCn2cnc3c(nc(N)nc23)N2CCN(CC2)C2CCCC2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	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
Toll-like receptor 9 (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	340	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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50581974 (CHEMBL5089951) Show SMILES CCN(CC)c1ccc(CNc2nc(N3CCN(CC)CC3)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	440	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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50581973 (CHEMBL5088615) Show SMILES CCN1CCN(CCCn2cnc3c(nc(NCc4ccc(F)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	470	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
Toll-like receptor 9 (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	500	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))	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	1.05E+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 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))	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	1.06E+3	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))	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	1.06E+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 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
Toll-like receptor 9 (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	1.19E+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
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50581969 (CHEMBL5078399) Show SMILES CCN1CCN(CC1)c1nc(NCc2ccc(F)cc2)nc2n(CCCN3CCCC3)cnc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+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))	BDBM50510249 (CHEMBL4463318) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCN3CCOCC3)c2c1 Show InChI InChI=1S/C25H27N5O3/c1-31-20-6-3-18(4-7-20)19-5-8-23-21(15-19)24(22(16-27-23)25-29-28-17-33-25)26-9-2-10-30-11-13-32-14-12-30/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	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114304 BindingDB Entry DOI: 10.7270/Q25B06GC
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510249 (CHEMBL4463318) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCN3CCOCC3)c2c1 Show InChI InChI=1S/C25H27N5O3/c1-31-20-6-3-18(4-7-20)19-5-8-23-21(15-19)24(22(16-27-23)25-29-28-17-33-25)26-9-2-10-30-11-13-32-14-12-30/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	1.79E+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 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))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O |r| Show InChI InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.80E+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				3D Structure (crystal)
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O |r| Show InChI InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.80E+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				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50215570 (CHEMBL2372732) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-c1cc(-[#8])ccc1-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C34H50N8O8/c1-3-20(2)28(42-30(46)24(12-7-8-16-35)39-29(45)23-19-22(43)14-15-27(23)44)32(48)41-26(18-21-10-5-4-6-11-21)31(47)40-25(33(49)50)13-9-17-38-34(36)37/h4-6,10-11,14-15,19-20,24-26,28,43-44H,3,7-9,12-13,16-18,35H2,1-2H3,(H,39,45)(H,40,47)(H,41,48)(H,42,46)(H,49,50)(H4,36,37,38)/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	1.90E+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
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510243 (CHEMBL4531413) Show SMILES COc1ccc(cc1C)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C25H24N6O2/c1-17-12-18(5-7-23(17)32-2)19-4-6-22-20(13-19)24(21(14-28-22)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	2.36E+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 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
Prothrombin (Homo sapiens (Human))	BDBM50070747 (CHEMBL2372735 | 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](CCCCN)C(O)=O Show InChI InChI=1S/C34H50N6O8/c1-3-21(2)29(40-31(44)25(13-7-9-17-35)37-30(43)24-20-23(41)15-16-28(24)42)33(46)39-27(19-22-11-5-4-6-12-22)32(45)38-26(34(47)48)14-8-10-18-36/h4-6,11-12,15-16,20-21,25-27,29,41-42H,3,7-10,13-14,17-19,35-36H2,1-2H3,(H,37,43)(H,38,45)(H,39,46)(H,40,44)(H,47,48)/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	2.50E+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
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.50E+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				3D Structure (crystal)
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50565242 (CHEMBL4791048) Show SMILES Nc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+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))	BDBM50008923 ((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.50E+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				3D Structure (crystal)
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510249 (CHEMBL4463318) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCN3CCOCC3)c2c1 Show InChI InChI=1S/C25H27N5O3/c1-31-20-6-3-18(4-7-20)19-5-8-23-21(15-19)24(22(16-27-23)25-29-28-17-33-25)26-9-2-10-30-11-13-32-14-12-30/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	2.51E+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))	BDBM50581992 (CHEMBL5088130) Show SMILES CCN1CCN(CC1)c1nc(NCc2ccc(OC)cc2)nc2n(CCCN3CCCC3)cnc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.66E+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))	BDBM50581974 (CHEMBL5089951) Show SMILES CCN(CC)c1ccc(CNc2nc(N3CCN(CC)CC3)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	2.70E+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))	BDBM50510239 (CHEMBL4454135) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H22N6O2/c1-31-19-6-3-17(4-7-19)18-5-8-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)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	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.74E+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))	BDBM50510239 (CHEMBL4454135) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H22N6O2/c1-31-19-6-3-17(4-7-19)18-5-8-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)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	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.74E+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))	BDBM50510243 (CHEMBL4531413) Show SMILES COc1ccc(cc1C)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C25H24N6O2/c1-17-12-18(5-7-23(17)32-2)19-4-6-22-20(13-19)24(21(14-28-22)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	3.00E+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

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