null

SMILES: CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C

InChI Key: InChIKey=XLLPHYRQYQABDZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 427564   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10544143 (2020) BindingDB Entry DOI: 10.7270/Q2QF8W80
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46W4Z
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10544143 (2020) BindingDB Entry DOI: 10.7270/Q2QF8W80
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10544143 (2020) BindingDB Entry DOI: 10.7270/Q2QF8W80
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10544143 (2020) BindingDB Entry DOI: 10.7270/Q2QF8W80
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10544143 (2020) BindingDB Entry DOI: 10.7270/Q2QF8W80
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10730877 (2020) BindingDB Entry DOI: 10.7270/Q2H41VH3
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10730877 (2020) BindingDB Entry DOI: 10.7270/Q2H41VH3
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10730877 (2020) BindingDB Entry DOI: 10.7270/Q2H41VH3
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10730877 (2020) BindingDB Entry DOI: 10.7270/Q2H41VH3
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10730877 (2020) BindingDB Entry DOI: 10.7270/Q2H41VH3
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10730877 (2020) BindingDB Entry DOI: 10.7270/Q2H41VH3
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46W4Z
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46W4Z
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46W4Z
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46W4Z
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46W4Z
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM427564 (6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10544143 (2020) BindingDB Entry DOI: 10.7270/Q2QF8W80
					More data for this Ligand-Target Pair