null

SMILES: Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1

InChI Key: InChIKey=IJKDASOGZQSXII-MRXNPFEDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 267436   

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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM267436 (US10688100, Compound 20 | US10966985, Compound 20 ...) Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-13-4-5-17-14(11-13)16-3-1-8-25(16)18-6-9-26-19(24-18)15(12-23-26)20(27)22-7-2-10-28-17/h4-6,9,11-12,16H,1-3,7-8,10H2,(H,22,27)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	7.5	n/a
Array BioPharma, Inc. US Patent					Assay Description An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...				US Patent US9718822 (2017) BindingDB Entry DOI: 10.7270/Q2N3000J
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM267436 (US10688100, Compound 20 | US10966985, Compound 20 ...) Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-13-4-5-17-14(11-13)16-3-1-8-25(16)18-6-9-26-19(24-18)15(12-23-26)20(27)22-7-2-10-28-17/h4-6,9,11-12,16H,1-3,7-8,10H2,(H,22,27)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	7.5	n/a
Array BioPharma, Inc. US Patent					Assay Description The ability of a compound to bind to TrkA was measured by Invitrogen's LanthaScreen¿ Eu Kinase Binding Assay. In this assay, His-tagged recombina...				US Patent US9718822 (2017) BindingDB Entry DOI: 10.7270/Q2N3000J
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM267436 (US10688100, Compound 20 | US10966985, Compound 20 ...) Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-13-4-5-17-14(11-13)16-3-1-8-25(16)18-6-9-26-19(24-18)15(12-23-26)20(27)22-7-2-10-28-17/h4-6,9,11-12,16H,1-3,7-8,10H2,(H,22,27)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...				US Patent US9750744 (2017) BindingDB Entry DOI: 10.7270/Q2C82CFX
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM267436 (US10688100, Compound 20 | US10966985, Compound 20 ...) Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-13-4-5-17-14(11-13)16-3-1-8-25(16)18-6-9-26-19(24-18)15(12-23-26)20(27)22-7-2-10-28-17/h4-6,9,11-12,16H,1-3,7-8,10H2,(H,22,27)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description The ability of a compound to bind to TrkA was measured by Invitrogen's LanthaScreen Eu Kinase Binding Assay. In this assay, His-tagged recombinan...				US Patent US9750744 (2017) BindingDB Entry DOI: 10.7270/Q2C82CFX
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM267436 (US10688100, Compound 20 | US10966985, Compound 20 ...) Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-13-4-5-17-14(11-13)16-3-1-8-25(16)18-6-9-26-19(24-18)15(12-23-26)20(27)22-7-2-10-28-17/h4-6,9,11-12,16H,1-3,7-8,10H2,(H,22,27)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors Immulon 4HBX 384-well microtiter p...				J Med Chem 48: 2906-15 (2005) BindingDB Entry DOI: 10.7270/Q21N83FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM267436 (US10688100, Compound 20 | US10966985, Compound 20 ...) Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-13-4-5-17-14(11-13)16-3-1-8-25(16)18-6-9-26-19(24-18)15(12-23-26)20(27)22-7-2-10-28-17/h4-6,9,11-12,16H,1-3,7-8,10H2,(H,22,27)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description The ability of a compound to bind to TrkA was measured by Invitrogen's LanthaScreen™ Eu Kinase Binding Assay. In this assay, His-tagged recombina...				J Med Chem 48: 2906-15 (2005) BindingDB Entry DOI: 10.7270/Q21N83FK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS [D2033N] (Homo sapiens (Human))	BDBM267436 (US10688100, Compound 20 | US10966985, Compound 20 ...) Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-13-4-5-17-14(11-13)16-3-1-8-25(16)18-6-9-26-19(24-18)15(12-23-26)20(27)22-7-2-10-28-17/h4-6,9,11-12,16H,1-3,7-8,10H2,(H,22,27)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...				US Patent US10966985 (2021)
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS [L2026M] (Homo sapiens (Human))	BDBM267436 (US10688100, Compound 20 | US10966985, Compound 20 ...) Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-13-4-5-17-14(11-13)16-3-1-8-25(16)18-6-9-26-19(24-18)15(12-23-26)20(27)22-7-2-10-28-17/h4-6,9,11-12,16H,1-3,7-8,10H2,(H,22,27)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21.6	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...				US Patent US10688100 (2020)
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS [D2033N] (Homo sapiens (Human))	BDBM267436 (US10688100, Compound 20 | US10966985, Compound 20 ...) Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-13-4-5-17-14(11-13)16-3-1-8-25(16)18-6-9-26-19(24-18)15(12-23-26)20(27)22-7-2-10-28-17/h4-6,9,11-12,16H,1-3,7-8,10H2,(H,22,27)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...				US Patent US10688100 (2020)
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS [G2032R] (Homo sapiens (Human))	BDBM267436 (US10688100, Compound 20 | US10966985, Compound 20 ...) Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-13-4-5-17-14(11-13)16-3-1-8-25(16)18-6-9-26-19(24-18)15(12-23-26)20(27)22-7-2-10-28-17/h4-6,9,11-12,16H,1-3,7-8,10H2,(H,22,27)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...				US Patent US10688100 (2020)
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM267436 (US10688100, Compound 20 | US10966985, Compound 20 ...) Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-13-4-5-17-14(11-13)16-3-1-8-25(16)18-6-9-26-19(24-18)15(12-23-26)20(27)22-7-2-10-28-17/h4-6,9,11-12,16H,1-3,7-8,10H2,(H,22,27)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...				US Patent US10966985 (2021)
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS [G2032R] (Homo sapiens (Human))	BDBM267436 (US10688100, Compound 20 | US10966985, Compound 20 ...) Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-13-4-5-17-14(11-13)16-3-1-8-25(16)18-6-9-26-19(24-18)15(12-23-26)20(27)22-7-2-10-28-17/h4-6,9,11-12,16H,1-3,7-8,10H2,(H,22,27)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21.6	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...				US Patent US10966985 (2021)
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS [L2026M] (Homo sapiens (Human))	BDBM267436 (US10688100, Compound 20 | US10966985, Compound 20 ...) Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-13-4-5-17-14(11-13)16-3-1-8-25(16)18-6-9-26-19(24-18)15(12-23-26)20(27)22-7-2-10-28-17/h4-6,9,11-12,16H,1-3,7-8,10H2,(H,22,27)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...				US Patent US10966985 (2021)
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM267436 (US10688100, Compound 20 | US10966985, Compound 20 ...) Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-13-4-5-17-14(11-13)16-3-1-8-25(16)18-6-9-26-19(24-18)15(12-23-26)20(27)22-7-2-10-28-17/h4-6,9,11-12,16H,1-3,7-8,10H2,(H,22,27)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...				US Patent US10688100 (2020)
					More data for this Ligand-Target Pair