Compile Data Set for Download or QSAR

Found 383 hits with Last Name = 'sarkar' and Initial = 'd'   

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 8 (Homo sapiens (Human))	BDBM50552139 (CHEMBL4790706) Show SMILES COc1ccc2c(ccnc2c1)-c1ccc(O)c(C)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at AT1 receptor in rat aortic rings				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50587871 (CHEMBL5176610) Show SMILES Cc1cc(ccc1O)-c1ccnc2cc(O)ccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at AT1 receptor in rat aortic rings				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human DHFR using 45 uM DHF as substrate by spectrophotometry				ACS Med Chem Lett 6: 1140-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00367 BindingDB Entry DOI: 10.7270/Q25H7J3Z
					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
Dihydrofolate reductase (Mycobacterium tuberculosis)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR using 45 uM DHF as substrate by spectrophotometry				ACS Med Chem Lett 6: 1140-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00367 BindingDB Entry DOI: 10.7270/Q25H7J3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50252308 (CHEMBL4065452) Show SMILES C(COc1ccc(cc1)-c1nc2ccc(OCCCN3CCCC3)cc2o1)CN1CCCC1 Show InChI InChI=1S/C27H35N3O3/c1-2-14-29(13-1)17-5-19-31-23-9-7-22(8-10-23)27-28-25-12-11-24(21-26(25)33-27)32-20-6-18-30-15-3-4-16-30/h7-12,21H,1-6,13-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at AT1 receptor in rat aortic rings				Citation and Details
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50033132 (CHEMBL3356615) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCN3CCOCC3)CCc2c(C)n1 Show InChI InChI=1S/C24H34N6O/c1-19-22-7-8-30(14-11-28-15-17-31-18-16-28)24(22)26-23(25-19)20-3-5-21(6-4-20)29-12-9-27(2)10-13-29/h3-6H,7-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at AT1 receptor in rat aortic rings				Citation and Details
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50274714 (2-(4-(4-methylpiperazin-1-yl)phenyl)-N-(2-morpholi...) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc(NCCN2CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C25H32N6O/c1-29-12-14-31(15-13-29)21-8-6-20(7-9-21)24-27-23-5-3-2-4-22(23)25(28-24)26-10-11-30-16-18-32-19-17-30/h2-9H,10-19H2,1H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at AT1 receptor in rat aortic rings				Citation and Details
					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
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))	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))	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
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))	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))	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
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))	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
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 8 (Homo sapiens (Human))	BDBM50408508 (CHEMBL5277457) Show SMILES CC(=O)N1c2cc(Cl)ccc2Sc2ccc(cc12)C(C)=O Show InChI InChI=1S/C16H12ClNO2S/c1-9(19)11-3-5-15-13(7-11)18(10(2)20)14-8-12(17)4-6-16(14)21-15/h3-8H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at AT1 receptor in rat aortic rings				Citation and Details
					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))	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))	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))	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 7 (Homo sapiens (Human))	BDBM50568549 (CHEMBL4853223) Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2nc3ccc(OCCCN4CC[C@H](C4)N(C)C)cc3o2)C1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112978 BindingDB Entry DOI: 10.7270/Q2W95DZ6
					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 7 (Homo sapiens (Human))	BDBM50568548 (CHEMBL4878190) Show SMILES C(CNCc1ccc(CN2CCOCC2)cc1)COc1nc2ccc(OCCCNCc3ccc(CN4CCOCC4)cc3)cc2o1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112978 BindingDB Entry DOI: 10.7270/Q2W95DZ6
					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
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50568550 (CHEMBL4855190) Show SMILES CN(C)CCN(C)CCCOc1ccc(cc1)-c1nc2ccc(OCCCN(C)CCN(C)C)cc2o1 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 TLR7 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112978 BindingDB Entry DOI: 10.7270/Q2W95DZ6
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50467786 (CHEMBL4281194) Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC2CCCC2)CC1 Show InChI InChI=1S/C28H44N6O2/c1-31(2)28-29-24-20-26(36-18-8-13-32-11-6-7-12-32)25(35-3)19-23(24)27(30-28)34-16-14-33(15-17-34)21-22-9-4-5-10-22/h19-20,22H,4-18,21H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112978 BindingDB Entry DOI: 10.7270/Q2W95DZ6
					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	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112978 BindingDB Entry DOI: 10.7270/Q2W95DZ6
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50568553 (CHEMBL4868741) Show SMILES CN(C)CCCOc1ccc2nc(oc2c1)-c1ccc(OCCCN(C)CCCN(C)C)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112978 BindingDB Entry DOI: 10.7270/Q2W95DZ6
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50568552 (CHEMBL4868248) Show SMILES CN(C)CCCN(C)CCCOc1ccc(cc1)-c1nc2ccc(OCCCN(C)CCCN(C)C)cc2o1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112978 BindingDB Entry DOI: 10.7270/Q2W95DZ6
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50568551 (CHEMBL4853422) Show SMILES COC[C@H]1CCCN1CCCOc1ccc(cc1)-c1nc2ccc(OCCCN3CCC[C@@H]3COC)cc2o1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112978 BindingDB Entry DOI: 10.7270/Q2W95DZ6
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50568567 (CHEMBL4864157) Show SMILES COc1cc2c(nc(NCCCN3CCN(C)CC3)nc2cc1OC1CCCC1)N1CCN(C)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+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 24 hrs...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112978 BindingDB Entry DOI: 10.7270/Q2W95DZ6
					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 7 (Homo sapiens (Human))	BDBM50252273 (CHEMBL4100834) Show SMILES C(COc1ccc(cc1)-c1nc2ccc(OCCCN3CCCCC3)cc2o1)CN1CCCCC1 Show InChI InChI=1S/C29H39N3O3/c1-3-15-31(16-4-1)19-7-21-33-25-11-9-24(10-12-25)29-30-27-14-13-26(23-28(27)35-29)34-22-8-20-32-17-5-2-6-18-32/h9-14,23H,1-8,15-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112978 BindingDB Entry DOI: 10.7270/Q2W95DZ6
					More data for this Ligand-Target Pair

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