BDBM296716 US10112942, Example 451::US10137124, Example 451::US10172851, Example 451::US10555944, Example 451::US10953005, Example 451

SMILES: COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1

InChI Key: InChIKey=YLKHFYXSTNSMMN-UHFFFAOYSA-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 = 296716   

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))	BDBM296716 (US10112942, Example 451 | US10137124, Example 451 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	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 (G810R) (Homo sapiens (Human))	BDBM296716 (US10112942, Example 451 | US10137124, Example 451 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52.4	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 mutant (G810R) (Homo sapiens (Human))	BDBM296716 (US10112942, Example 451 | US10137124, Example 451 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52.4	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))	BDBM296716 (US10112942, Example 451 | US10137124, Example 451 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	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))	BDBM296716 (US10112942, Example 451 | US10137124, Example 451 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.7	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))	BDBM296716 (US10112942, Example 451 | US10137124, Example 451 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52.4	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
RET Kinase (aa 658-1114) (Homo sapiens (Human))	BDBM296716 (US10112942, Example 451 | US10137124, Example 451 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	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
RET Kinase (V804M) (aa658-end) (Homo sapiens (Human))	BDBM296716 (US10112942, Example 451 | US10137124, Example 451 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.7	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
RET kinase mutant (G810R) (Homo sapiens (Human))	BDBM296716 (US10112942, Example 451 | US10137124, Example 451 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52.4	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
RET Kinase (aa 658-1114) (Homo sapiens (Human))	BDBM296716 (US10112942, Example 451 | US10137124, Example 451 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	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))	BDBM296716 (US10112942, Example 451 | US10137124, Example 451 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.7	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))	BDBM296716 (US10112942, Example 451 | US10137124, Example 451 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52.4	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))	BDBM296716 (US10112942, Example 451 | US10137124, Example 451 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	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))	BDBM296716 (US10112942, Example 451 | US10137124, Example 451 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.7	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 (V804M) (Homo sapiens (Human))	BDBM296716 (US10112942, Example 451 | US10137124, Example 451 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC3(F)CNC3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.7	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