null

SMILES: CC(=O)N1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12

InChI Key: InChIKey=AEGXKBZODBYKQN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 411840   

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
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411840 (US10392391, Compound I-N-275 | US10787452, Compoun...) Show SMILES CC(=O)N1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C18H18F2N8O2/c1-10(29)26-2-4-27(5-3-26)15-12(20)7-22-8-13(15)24-18(30)14-16(21)25-28-9-11(19)6-23-17(14)28/h6-9H,2-5H2,1H3,(H2,21,25)(H,24,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411840 (US10392391, Compound I-N-275 | US10787452, Compoun...) Show SMILES CC(=O)N1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C18H18F2N8O2/c1-10(29)26-2-4-27(5-3-26)15-12(20)7-22-8-13(15)24-18(30)14-16(21)25-28-9-11(19)6-23-17(14)28/h6-9H,2-5H2,1H3,(H2,21,25)(H,24,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Incorporated US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10392391 (2019) BindingDB Entry DOI: 10.7270/Q2CF9SGQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411840 (US10392391, Compound I-N-275 | US10787452, Compoun...) Show SMILES CC(=O)N1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C18H18F2N8O2/c1-10(29)26-2-4-27(5-3-26)15-12(20)7-22-8-13(15)24-18(30)14-16(21)25-28-9-11(19)6-23-17(14)28/h6-9H,2-5H2,1H3,(H2,21,25)(H,24,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Assays were carried out at 25° C. in the presence of 5 nM full-length ATR. An assay stock buffer solution was prepared containing all of the reagents...				US Patent US10787452 (2020) BindingDB Entry DOI: 10.7270/Q2M90CRQ
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411840 (US10392391, Compound I-N-275 | US10787452, Compoun...) Show SMILES CC(=O)N1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C18H18F2N8O2/c1-10(29)26-2-4-27(5-3-26)15-12(20)7-22-8-13(15)24-18(30)14-16(21)25-28-9-11(19)6-23-17(14)28/h6-9H,2-5H2,1H3,(H2,21,25)(H,24,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411840 (US10392391, Compound I-N-275 | US10787452, Compoun...) Show SMILES CC(=O)N1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C18H18F2N8O2/c1-10(29)26-2-4-27(5-3-26)15-12(20)7-22-8-13(15)24-18(30)14-16(21)25-28-9-11(19)6-23-17(14)28/h6-9H,2-5H2,1H3,(H2,21,25)(H,24,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411840 (US10392391, Compound I-N-275 | US10787452, Compoun...) Show SMILES CC(=O)N1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C18H18F2N8O2/c1-10(29)26-2-4-27(5-3-26)15-12(20)7-22-8-13(15)24-18(30)14-16(21)25-28-9-11(19)6-23-17(14)28/h6-9H,2-5H2,1H3,(H2,21,25)(H,24,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	505	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411840 (US10392391, Compound I-N-275 | US10787452, Compoun...) Show SMILES CC(=O)N1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C18H18F2N8O2/c1-10(29)26-2-4-27(5-3-26)15-12(20)7-22-8-13(15)24-18(30)14-16(21)25-28-9-11(19)6-23-17(14)28/h6-9H,2-5H2,1H3,(H2,21,25)(H,24,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	505	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Incorporated US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10392391 (2019) BindingDB Entry DOI: 10.7270/Q2CF9SGQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411840 (US10392391, Compound I-N-275 | US10787452, Compoun...) Show SMILES CC(=O)N1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C18H18F2N8O2/c1-10(29)26-2-4-27(5-3-26)15-12(20)7-22-8-13(15)24-18(30)14-16(21)25-28-9-11(19)6-23-17(14)28/h6-9H,2-5H2,1H3,(H2,21,25)(H,24,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	505	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Assays were carried out at 25° C. in the presence of 5 nM full-length ATR. An assay stock buffer solution was prepared containing all of the reagents...				US Patent US10787452 (2020) BindingDB Entry DOI: 10.7270/Q2M90CRQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411840 (US10392391, Compound I-N-275 | US10787452, Compoun...) Show SMILES CC(=O)N1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C18H18F2N8O2/c1-10(29)26-2-4-27(5-3-26)15-12(20)7-22-8-13(15)24-18(30)14-16(21)25-28-9-11(19)6-23-17(14)28/h6-9H,2-5H2,1H3,(H2,21,25)(H,24,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 5: Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out i...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411840 (US10392391, Compound I-N-275 | US10787452, Compoun...) Show SMILES CC(=O)N1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C18H18F2N8O2/c1-10(29)26-2-4-27(5-3-26)15-12(20)7-22-8-13(15)24-18(30)14-16(21)25-28-9-11(19)6-23-17(14)28/h6-9H,2-5H2,1H3,(H2,21,25)(H,24,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2CN782F
					More data for this Ligand-Target Pair