null

SMILES: CN1CCN(CC1)C(=O)c1ccc(cc1)-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12

InChI Key: InChIKey=JGKIAQVVTLAMKA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 411989   

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))	BDBM411989 (US10392391, Compound I-C-43 | US10787452, Compound...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C24H22F2N8O2/c1-32-6-8-33(9-7-32)24(36)15-4-2-14(3-5-15)19-17(26)11-28-12-18(19)30-23(35)20-21(27)31-34-13-16(25)10-29-22(20)34/h2-5,10-13H,6-9H2,1H3,(H2,27,31)(H,30,35)	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)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411989 (US10392391, Compound I-C-43 | US10787452, Compound...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C24H22F2N8O2/c1-32-6-8-33(9-7-32)24(36)15-4-2-14(3-5-15)19-17(26)11-28-12-18(19)30-23(35)20-21(27)31-34-13-16(25)10-29-22(20)34/h2-5,10-13H,6-9H2,1H3,(H2,27,31)(H,30,35)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411989 (US10392391, Compound I-C-43 | US10787452, Compound...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C24H22F2N8O2/c1-32-6-8-33(9-7-32)24(36)15-4-2-14(3-5-15)19-17(26)11-28-12-18(19)30-23(35)20-21(27)31-34-13-16(25)10-29-22(20)34/h2-5,10-13H,6-9H2,1H3,(H2,27,31)(H,30,35)	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
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411989 (US10392391, Compound I-C-43 | US10787452, Compound...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C24H22F2N8O2/c1-32-6-8-33(9-7-32)24(36)15-4-2-14(3-5-15)19-17(26)11-28-12-18(19)30-23(35)20-21(27)31-34-13-16(25)10-29-22(20)34/h2-5,10-13H,6-9H2,1H3,(H2,27,31)(H,30,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem		<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411989 (US10392391, Compound I-C-43 | US10787452, Compound...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C24H22F2N8O2/c1-32-6-8-33(9-7-32)24(36)15-4-2-14(3-5-15)19-17(26)11-28-12-18(19)30-23(35)20-21(27)31-34-13-16(25)10-29-22(20)34/h2-5,10-13H,6-9H2,1H3,(H2,27,31)(H,30,35)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		505	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411989 (US10392391, Compound I-C-43 | US10787452, Compound...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C24H22F2N8O2/c1-32-6-8-33(9-7-32)24(36)15-4-2-14(3-5-15)19-17(26)11-28-12-18(19)30-23(35)20-21(27)31-34-13-16(25)10-29-22(20)34/h2-5,10-13H,6-9H2,1H3,(H2,27,31)(H,30,35)	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)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411989 (US10392391, Compound I-C-43 | US10787452, Compound...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C24H22F2N8O2/c1-32-6-8-33(9-7-32)24(36)15-4-2-14(3-5-15)19-17(26)11-28-12-18(19)30-23(35)20-21(27)31-34-13-16(25)10-29-22(20)34/h2-5,10-13H,6-9H2,1H3,(H2,27,31)(H,30,35)	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