BDBM296376 US10112942, Example 110::US10137124, Example 110::US10555944, Example 110::US10953005, Example 110

SMILES: COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCO)cn3ncc(C#N)c23)cn1

InChI Key: InChIKey=SASCURALWVXKGF-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 296376   

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))	BDBM296376 (US10112942, Example 110 | US10137124, Example 110 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCO)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C27H27N7O3/c1-36-26-5-2-18(11-30-26)14-33-21-8-22(33)16-32(15-21)25-4-3-19(12-29-25)24-9-23(37-7-6-35)17-34-27(24)20(10-28)13-31-34/h2-5,9,11-13,17,21-22,35H,6-8,14-16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10	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
RET kinase mutant (V804M) (Homo sapiens (Human))	BDBM296376 (US10112942, Example 110 | US10137124, Example 110 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCO)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C27H27N7O3/c1-36-26-5-2-18(11-30-26)14-33-21-8-22(33)16-32(15-21)25-4-3-19(12-29-25)24-9-23(37-7-6-35)17-34-27(24)20(10-28)13-31-34/h2-5,9,11-13,17,21-22,35H,6-8,14-16H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.5	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
RET kinase mutant (G810R) (Homo sapiens (Human))	BDBM296376 (US10112942, Example 110 | US10137124, Example 110 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCO)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C27H27N7O3/c1-36-26-5-2-18(11-30-26)14-33-21-8-22(33)16-32(15-21)25-4-3-19(12-29-25)24-9-23(37-7-6-35)17-34-27(24)20(10-28)13-31-34/h2-5,9,11-13,17,21-22,35H,6-8,14-16H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	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))	BDBM296376 (US10112942, Example 110 | US10137124, Example 110 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCO)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C27H27N7O3/c1-36-26-5-2-18(11-30-26)14-33-21-8-22(33)16-32(15-21)25-4-3-19(12-29-25)24-9-23(37-7-6-35)17-34-27(24)20(10-28)13-31-34/h2-5,9,11-13,17,21-22,35H,6-8,14-16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10	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
RET kinase mutant (V804M) (Homo sapiens (Human))	BDBM296376 (US10112942, Example 110 | US10137124, Example 110 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCO)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C27H27N7O3/c1-36-26-5-2-18(11-30-26)14-33-21-8-22(33)16-32(15-21)25-4-3-19(12-29-25)24-9-23(37-7-6-35)17-34-27(24)20(10-28)13-31-34/h2-5,9,11-13,17,21-22,35H,6-8,14-16H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.5	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
RET kinase mutant (G810R) (Homo sapiens (Human))	BDBM296376 (US10112942, Example 110 | US10137124, Example 110 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCO)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C27H27N7O3/c1-36-26-5-2-18(11-30-26)14-33-21-8-22(33)16-32(15-21)25-4-3-19(12-29-25)24-9-23(37-7-6-35)17-34-27(24)20(10-28)13-31-34/h2-5,9,11-13,17,21-22,35H,6-8,14-16H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	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
RET Kinase (aa 658-1114) (Homo sapiens (Human))	BDBM296376 (US10112942, Example 110 | US10137124, Example 110 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCO)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C27H27N7O3/c1-36-26-5-2-18(11-30-26)14-33-21-8-22(33)16-32(15-21)25-4-3-19(12-29-25)24-9-23(37-7-6-35)17-34-27(24)20(10-28)13-31-34/h2-5,9,11-13,17,21-22,35H,6-8,14-16H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10	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
RET Kinase (V804M) (aa658-end) (Homo sapiens (Human))	BDBM296376 (US10112942, Example 110 | US10137124, Example 110 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCO)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C27H27N7O3/c1-36-26-5-2-18(11-30-26)14-33-21-8-22(33)16-32(15-21)25-4-3-19(12-29-25)24-9-23(37-7-6-35)17-34-27(24)20(10-28)13-31-34/h2-5,9,11-13,17,21-22,35H,6-8,14-16H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.5	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 (G810R) (Homo sapiens (Human))	BDBM296376 (US10112942, Example 110 | US10137124, Example 110 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCO)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C27H27N7O3/c1-36-26-5-2-18(11-30-26)14-33-21-8-22(33)16-32(15-21)25-4-3-19(12-29-25)24-9-23(37-7-6-35)17-34-27(24)20(10-28)13-31-34/h2-5,9,11-13,17,21-22,35H,6-8,14-16H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	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))	BDBM296376 (US10112942, Example 110 | US10137124, Example 110 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCO)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C27H27N7O3/c1-36-26-5-2-18(11-30-26)14-33-21-8-22(33)16-32(15-21)25-4-3-19(12-29-25)24-9-23(37-7-6-35)17-34-27(24)20(10-28)13-31-34/h2-5,9,11-13,17,21-22,35H,6-8,14-16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10	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
RET Kinase (V804M) (aa658-end) (Homo sapiens (Human))	BDBM296376 (US10112942, Example 110 | US10137124, Example 110 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCO)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C27H27N7O3/c1-36-26-5-2-18(11-30-26)14-33-21-8-22(33)16-32(15-21)25-4-3-19(12-29-25)24-9-23(37-7-6-35)17-34-27(24)20(10-28)13-31-34/h2-5,9,11-13,17,21-22,35H,6-8,14-16H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.5	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
RET kinase mutant (G810R) (Homo sapiens (Human))	BDBM296376 (US10112942, Example 110 | US10137124, Example 110 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCO)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C27H27N7O3/c1-36-26-5-2-18(11-30-26)14-33-21-8-22(33)16-32(15-21)25-4-3-19(12-29-25)24-9-23(37-7-6-35)17-34-27(24)20(10-28)13-31-34/h2-5,9,11-13,17,21-22,35H,6-8,14-16H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	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