BDBM296748 US10112942, Example 483::US10137124, Example 483::US10172851, Example 483::US10555944, Example 483::US10953005, Example 483

SMILES: COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@H](O)CN(C)C)cn3ncc(C#N)c23)cn1

InChI Key: InChIKey=JAODRAFAAMUQIE-DDJHWDJXSA-N

Data: 15 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 296748   

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
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM296748 (US10112942, Example 483 | US10137124, Example 483 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@H](O)CN(C)C)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C30H34N8O3/c1-35(2)17-25(39)19-41-26-9-27(30-22(10-31)13-34-38(30)18-26)21-5-6-28(32-12-21)36-15-23-8-24(16-36)37(23)14-20-4-7-29(40-3)33-11-20/h4-7,9,11-13,18,23-25,39H,8,14-17,19H2,1-3H3/t23?,24?,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.4	n/a	n/a	n/a	n/a	7.4	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK assay tec...				US Patent US10112942 (2018) BindingDB Entry DOI: 10.7270/Q2S75JB5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [G810R] (Homo sapiens (Human))	BDBM296748 (US10112942, Example 483 | US10137124, Example 483 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@H](O)CN(C)C)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C30H34N8O3/c1-35(2)17-25(39)19-41-26-9-27(30-22(10-31)13-34-38(30)18-26)21-5-6-28(32-12-21)36-15-23-8-24(16-36)37(23)14-20-4-7-29(40-3)33-11-20/h4-7,9,11-13,18,23-25,39H,8,14-17,19H2,1-3H3/t23?,24?,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
Array Biopharma Inc. US Patent					Assay Description RET G810R: The potency of a compound inhibiting G810R mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assay...				US Patent US10953005 (2021)
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [G810R] (Homo sapiens (Human))	BDBM296748 (US10112942, Example 483 | US10137124, Example 483 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@H](O)CN(C)C)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C30H34N8O3/c1-35(2)17-25(39)19-41-26-9-27(30-22(10-31)13-34-38(30)18-26)21-5-6-28(32-12-21)36-15-23-8-24(16-36)37(23)14-20-4-7-29(40-3)33-11-20/h4-7,9,11-13,18,23-25,39H,8,14-17,19H2,1-3H3/t23?,24?,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent									US Patent US10112942 (2018) BindingDB Entry DOI: 10.7270/Q2S75JB5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM296748 (US10112942, Example 483 | US10137124, Example 483 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@H](O)CN(C)C)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C30H34N8O3/c1-35(2)17-25(39)19-41-26-9-27(30-22(10-31)13-34-38(30)18-26)21-5-6-28(32-12-21)36-15-23-8-24(16-36)37(23)14-20-4-7-29(40-3)33-11-20/h4-7,9,11-13,18,23-25,39H,8,14-17,19H2,1-3H3/t23?,24?,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.4	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK assay tec...				US Patent US10137124 (2018) BindingDB Entry DOI: 10.7270/Q28S4RZ6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M] (Homo sapiens (Human))	BDBM296748 (US10112942, Example 483 | US10137124, Example 483 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@H](O)CN(C)C)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C30H34N8O3/c1-35(2)17-25(39)19-41-26-9-27(30-22(10-31)13-34-38(30)18-26)21-5-6-28(32-12-21)36-15-23-8-24(16-36)37(23)14-20-4-7-29(40-3)33-11-20/h4-7,9,11-13,18,23-25,39H,8,14-17,19H2,1-3H3/t23?,24?,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28.3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK assay tec...				US Patent US10137124 (2018) BindingDB Entry DOI: 10.7270/Q28S4RZ6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [G810R] (Homo sapiens (Human))	BDBM296748 (US10112942, Example 483 | US10137124, Example 483 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@H](O)CN(C)C)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C30H34N8O3/c1-35(2)17-25(39)19-41-26-9-27(30-22(10-31)13-34-38(30)18-26)21-5-6-28(32-12-21)36-15-23-8-24(16-36)37(23)14-20-4-7-29(40-3)33-11-20/h4-7,9,11-13,18,23-25,39H,8,14-17,19H2,1-3H3/t23?,24?,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK assay tec...				US Patent US10137124 (2018) BindingDB Entry DOI: 10.7270/Q28S4RZ6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296748 (US10112942, Example 483 | US10137124, Example 483 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@H](O)CN(C)C)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C30H34N8O3/c1-35(2)17-25(39)19-41-26-9-27(30-22(10-31)13-34-38(30)18-26)21-5-6-28(32-12-21)36-15-23-8-24(16-36)37(23)14-20-4-7-29(40-3)33-11-20/h4-7,9,11-13,18,23-25,39H,8,14-17,19H2,1-3H3/t23?,24?,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.4	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE -TK assay tech...				US Patent US10172851 (2019) BindingDB Entry DOI: 10.7270/Q2GM89CV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114,V804M] (Homo sapiens (Human))	BDBM296748 (US10112942, Example 483 | US10137124, Example 483 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@H](O)CN(C)C)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C30H34N8O3/c1-35(2)17-25(39)19-41-26-9-27(30-22(10-31)13-34-38(30)18-26)21-5-6-28(32-12-21)36-15-23-8-24(16-36)37(23)14-20-4-7-29(40-3)33-11-20/h4-7,9,11-13,18,23-25,39H,8,14-17,19H2,1-3H3/t23?,24?,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28.3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE -TK assay tech...				US Patent US10172851 (2019) BindingDB Entry DOI: 10.7270/Q2GM89CV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [G810R] (Homo sapiens (Human))	BDBM296748 (US10112942, Example 483 | US10137124, Example 483 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@H](O)CN(C)C)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C30H34N8O3/c1-35(2)17-25(39)19-41-26-9-27(30-22(10-31)13-34-38(30)18-26)21-5-6-28(32-12-21)36-15-23-8-24(16-36)37(23)14-20-4-7-29(40-3)33-11-20/h4-7,9,11-13,18,23-25,39H,8,14-17,19H2,1-3H3/t23?,24?,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	159	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 G81 OR mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assays containe...				US Patent US10172851 (2019) BindingDB Entry DOI: 10.7270/Q2GM89CV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM296748 (US10112942, Example 483 | US10137124, Example 483 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@H](O)CN(C)C)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C30H34N8O3/c1-35(2)17-25(39)19-41-26-9-27(30-22(10-31)13-34-38(30)18-26)21-5-6-28(32-12-21)36-15-23-8-24(16-36)37(23)14-20-4-7-29(40-3)33-11-20/h4-7,9,11-13,18,23-25,39H,8,14-17,19H2,1-3H3/t23?,24?,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.4	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE-TK assay techn...				US Patent US10555944 (2020) BindingDB Entry DOI: 10.7270/Q279473N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114,V804M] (Homo sapiens (Human))	BDBM296748 (US10112942, Example 483 | US10137124, Example 483 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@H](O)CN(C)C)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C30H34N8O3/c1-35(2)17-25(39)19-41-26-9-27(30-22(10-31)13-34-38(30)18-26)21-5-6-28(32-12-21)36-15-23-8-24(16-36)37(23)14-20-4-7-29(40-3)33-11-20/h4-7,9,11-13,18,23-25,39H,8,14-17,19H2,1-3H3/t23?,24?,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28.3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE-TK assay techn...				US Patent US10555944 (2020) BindingDB Entry DOI: 10.7270/Q279473N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114,G810R] (Homo sapiens (Human))	BDBM296748 (US10112942, Example 483 | US10137124, Example 483 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@H](O)CN(C)C)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C30H34N8O3/c1-35(2)17-25(39)19-41-26-9-27(30-22(10-31)13-34-38(30)18-26)21-5-6-28(32-12-21)36-15-23-8-24(16-36)37(23)14-20-4-7-29(40-3)33-11-20/h4-7,9,11-13,18,23-25,39H,8,14-17,19H2,1-3H3/t23?,24?,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description The potency of a compound inhibiting G81 OR mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assays containe...				US Patent US10555944 (2020) BindingDB Entry DOI: 10.7270/Q279473N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM296748 (US10112942, Example 483 | US10137124, Example 483 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@H](O)CN(C)C)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C30H34N8O3/c1-35(2)17-25(39)19-41-26-9-27(30-22(10-31)13-34-38(30)18-26)21-5-6-28(32-12-21)36-15-23-8-24(16-36)37(23)14-20-4-7-29(40-3)33-11-20/h4-7,9,11-13,18,23-25,39H,8,14-17,19H2,1-3H3/t23?,24?,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.4	n/a	n/a	n/a	n/a	n/a	n/a
Array Biopharma Inc. US Patent					Assay Description RET: Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE™-TK assa...				US Patent US10953005 (2021)
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114,V804M] (Homo sapiens (Human))	BDBM296748 (US10112942, Example 483 | US10137124, Example 483 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@H](O)CN(C)C)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C30H34N8O3/c1-35(2)17-25(39)19-41-26-9-27(30-22(10-31)13-34-38(30)18-26)21-5-6-28(32-12-21)36-15-23-8-24(16-36)37(23)14-20-4-7-29(40-3)33-11-20/h4-7,9,11-13,18,23-25,39H,8,14-17,19H2,1-3H3/t23?,24?,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28.3	n/a	n/a	n/a	n/a	n/a	n/a
Array Biopharma Inc. US Patent					Assay Description RET: Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF® KinEASE™-TK assa...				US Patent US10953005 (2021)
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M] (Homo sapiens (Human))	BDBM296748 (US10112942, Example 483 | US10137124, Example 483 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OC[C@H](O)CN(C)C)cn3ncc(C#N)c23)cn1 |r| Show InChI InChI=1S/C30H34N8O3/c1-35(2)17-25(39)19-41-26-9-27(30-22(10-31)13-34-38(30)18-26)21-5-6-28(32-12-21)36-15-23-8-24(16-36)37(23)14-20-4-7-29(40-3)33-11-20/h4-7,9,11-13,18,23-25,39H,8,14-17,19H2,1-3H3/t23?,24?,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28.3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent									US Patent US10112942 (2018) BindingDB Entry DOI: 10.7270/Q2S75JB5
					More data for this Ligand-Target Pair