Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1073   

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 7 (Homo sapiens (Human))	BDBM307520 ((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC)CC(O)=O)cc1OC |r| Show InChI InChI=1S/C24H37N5O4/c1-5-7-19(10-11-30)27-23-20(16(3)26-24(25)28-23)13-18-9-8-17(12-21(18)33-4)14-29(6-2)15-22(31)32/h8-9,12,19,30H,5-7,10-11,13-15H2,1-4H3,(H,31,32)(H3,25,26,27,28)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...				US Patent US10150743 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K6N
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM307521 (2-((4-((2-amino-4-(butylamino)-6-methylpyrimidin-5...) Show SMILES CCCCNc1nc(N)nc(C)c1Cc1ccc(CN(CC)CC(O)=O)cc1OC Show InChI InChI=1S/C22H33N5O3/c1-5-7-10-24-21-18(15(3)25-22(23)26-21)12-17-9-8-16(11-19(17)30-4)13-27(6-2)14-20(28)29/h8-9,11H,5-7,10,12-14H2,1-4H3,(H,28,29)(H3,23,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...				US Patent US10150743 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K6N
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM307522 ((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(F)F)CC(O)=O)cc1OC |r| Show InChI InChI=1S/C24H35F2N5O4/c1-4-5-18(8-9-32)29-23-19(15(2)28-24(27)30-23)11-17-7-6-16(10-20(17)35-3)12-31(13-21(25)26)14-22(33)34/h6-7,10,18,21,32H,4-5,8-9,11-14H2,1-3H3,(H,33,34)(H3,27,28,29,30)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...				US Patent US10150743 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K6N
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM307523 ((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(O)=O)CC(F)(F)F)cc1OC |r| Show InChI InChI=1S/C24H34F3N5O4/c1-4-5-18(8-9-33)30-22-19(15(2)29-23(28)31-22)11-17-7-6-16(10-20(17)36-3)12-32(13-21(34)35)14-24(25,26)27/h6-7,10,18,33H,4-5,8-9,11-14H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...				US Patent US10150743 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K6N
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM307525 ((S)-3-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CCC(O)=O)CC(F)F)cc1OC |r| Show InChI InChI=1S/C25H37F2N5O4/c1-4-5-19(9-11-33)30-24-20(16(2)29-25(28)31-24)13-18-7-6-17(12-21(18)36-3)14-32(15-22(26)27)10-8-23(34)35/h6-7,12,19,22,33H,4-5,8-11,13-15H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...				US Patent US10150743 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K6N
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM307526 ((S)-2-(N-(4-((2-amino-4-(1-hydroxyhexan-3-ylamino)...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(O)=O)C(C)=O)cc1OC |r| Show InChI InChI=1S/C24H35N5O5/c1-5-6-19(9-10-30)27-23-20(15(2)26-24(25)28-23)12-18-8-7-17(11-21(18)34-4)13-29(16(3)31)14-22(32)33/h7-8,11,19,30H,5-6,9-10,12-14H2,1-4H3,(H,32,33)(H3,25,26,27,28)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...				US Patent US10150743 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K6N
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM307531 ((S)-2-((3-(4-((2-amino-4-(l-hydroxyhexan-3-ylamino...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN(CC(F)F)CC(O)=O)cc1OC |r| Show InChI InChI=1S/C26H39F2N5O5/c1-4-6-19(9-11-34)31-25-21(17(2)30-26(29)32-25)13-18-7-8-20(14-22(18)37-3)38-12-5-10-33(15-23(27)28)16-24(35)36/h7-8,14,19,23,34H,4-6,9-13,15-16H2,1-3H3,(H,35,36)(H3,29,30,31,32)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...				US Patent US10150743 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K6N
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM307528 ((S)-1-(3-(4-((2-amino-4-((S)-1-hydroxyhexan-3-ylam...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN2CCC[C@H]2C(O)=O)cc1OC |r| Show InChI InChI=1S/C27H41N5O5/c1-4-7-20(11-14-33)30-25-22(18(2)29-27(28)31-25)16-19-9-10-21(17-24(19)36-3)37-15-6-13-32-12-5-8-23(32)26(34)35/h9-10,17,20,23,33H,4-8,11-16H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t20-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...				US Patent US10150743 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K6N
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM307529 ((S)-3-((3-(4-((2-amino-4-(1-hydroxyhexan-3-ylamino...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN(CC)CC(O)=O)cc1OC |r| Show InChI InChI=1S/C26H41N5O5/c1-5-8-20(11-13-32)29-25-22(18(3)28-26(27)30-25)15-19-9-10-21(16-23(19)35-4)36-14-7-12-31(6-2)17-24(33)34/h9-10,16,20,32H,5-8,11-15,17H2,1-4H3,(H,33,34)(H3,27,28,29,30)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...				US Patent US10150743 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K6N
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM307529 ((S)-3-((3-(4-((2-amino-4-(1-hydroxyhexan-3-ylamino...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN(CC)CC(O)=O)cc1OC |r| Show InChI InChI=1S/C26H41N5O5/c1-5-8-20(11-13-32)29-25-22(18(3)28-26(27)30-25)15-19-9-10-21(16-23(19)35-4)36-14-7-12-31(6-2)17-24(33)34/h9-10,16,20,32H,5-8,11-15,17H2,1-4H3,(H,33,34)(H3,27,28,29,30)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...				US Patent US10150743 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K6N
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM307532 ((R)-1-(4-((2-amino-4-((S)-1-hydroxyhexan-3-ylamino...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCC[C@@H]2C(O)=O)cc1OC |r| Show InChI InChI=1S/C25H37N5O4/c1-4-6-19(10-12-31)28-23-20(16(2)27-25(26)29-23)14-18-9-8-17(13-22(18)34-3)15-30-11-5-7-21(30)24(32)33/h8-9,13,19,21,31H,4-7,10-12,14-15H2,1-3H3,(H,32,33)(H3,26,27,28,29)/t19-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...				US Patent US10150743 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K6N
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM307533 ((S)-1-(4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6-...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(Cn2cncc2C(O)=O)cc1OC |r| Show InChI InChI=1S/C24H32N6O4/c1-4-5-18(8-9-31)28-22-19(15(2)27-24(25)29-22)11-17-7-6-16(10-21(17)34-3)13-30-14-26-12-20(30)23(32)33/h6-7,10,12,14,18,31H,4-5,8-9,11,13H2,1-3H3,(H,32,33)(H3,25,27,28,29)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...				US Patent US10150743 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K6N
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM307524 ((S)-3-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC)CCC(O)=O)cc1OC |r| Show InChI InChI=1S/C25H39N5O4/c1-5-7-20(11-13-31)28-24-21(17(3)27-25(26)29-24)15-19-9-8-18(14-22(19)34-4)16-30(6-2)12-10-23(32)33/h8-9,14,20,31H,5-7,10-13,15-16H2,1-4H3,(H,32,33)(H3,26,27,28,29)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...				US Patent US10150743 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K6N
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM307527 ((R)-1-(3-(4-((2-amino-4-((S)-1-hydroxyhexan-3-ylam...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN2CCC[C@@H]2C(O)=O)cc1OC |r| Show InChI InChI=1S/C27H41N5O5/c1-4-7-20(11-14-33)30-25-22(18(2)29-27(28)31-25)16-19-9-10-21(17-24(19)36-3)37-15-6-13-32-12-5-8-23(32)26(34)35/h9-10,17,20,23,33H,4-8,11-16H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t20-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...				US Patent US10150743 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K6N
					More data for this Ligand-Target Pair