BDBM296733 US10112942, Example 468::US10137124, Example 468::US10172851, Example 468::US10555944, Example 468::US10953005, Example 468

SMILES: COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCc3ncco3)cn3ncc(C#N)c23)cn1

InChI Key: InChIKey=QNBGPPNONCLMNI-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 296733   

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))	BDBM296733 (US10112942, Example 468 | US10137124, Example 468 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCc3ncco3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H26N8O3/c1-38-27-5-2-19(11-33-27)14-36-22-8-23(36)16-35(15-22)26-4-3-20(12-32-26)25-9-24(40-18-28-31-6-7-39-28)17-37-29(25)21(10-30)13-34-37/h2-7,9,11-13,17,22-23H,8,14-16,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	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))	BDBM296733 (US10112942, Example 468 | US10137124, Example 468 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCc3ncco3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H26N8O3/c1-38-27-5-2-19(11-33-27)14-36-22-8-23(36)16-35(15-22)26-4-3-20(12-32-26)25-9-24(40-18-28-31-6-7-39-28)17-37-29(25)21(10-30)13-34-37/h2-7,9,11-13,17,22-23H,8,14-16,18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	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))	BDBM296733 (US10112942, Example 468 | US10137124, Example 468 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCc3ncco3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H26N8O3/c1-38-27-5-2-19(11-33-27)14-36-22-8-23(36)16-35(15-22)26-4-3-20(12-32-26)25-9-24(40-18-28-31-6-7-39-28)17-37-29(25)21(10-30)13-34-37/h2-7,9,11-13,17,22-23H,8,14-16,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	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))	BDBM296733 (US10112942, Example 468 | US10137124, Example 468 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCc3ncco3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H26N8O3/c1-38-27-5-2-19(11-33-27)14-36-22-8-23(36)16-35(15-22)26-4-3-20(12-32-26)25-9-24(40-18-28-31-6-7-39-28)17-37-29(25)21(10-30)13-34-37/h2-7,9,11-13,17,22-23H,8,14-16,18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	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 (V804M) (aa658-end) (Homo sapiens (Human))	BDBM296733 (US10112942, Example 468 | US10137124, Example 468 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCc3ncco3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H26N8O3/c1-38-27-5-2-19(11-33-27)14-36-22-8-23(36)16-35(15-22)26-4-3-20(12-32-26)25-9-24(40-18-28-31-6-7-39-28)17-37-29(25)21(10-30)13-34-37/h2-7,9,11-13,17,22-23H,8,14-16,18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	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))	BDBM296733 (US10112942, Example 468 | US10137124, Example 468 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCc3ncco3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H26N8O3/c1-38-27-5-2-19(11-33-27)14-36-22-8-23(36)16-35(15-22)26-4-3-20(12-32-26)25-9-24(40-18-28-31-6-7-39-28)17-37-29(25)21(10-30)13-34-37/h2-7,9,11-13,17,22-23H,8,14-16,18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	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 (aa 658-1114) (Homo sapiens (Human))	BDBM296733 (US10112942, Example 468 | US10137124, Example 468 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCc3ncco3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H26N8O3/c1-38-27-5-2-19(11-33-27)14-36-22-8-23(36)16-35(15-22)26-4-3-20(12-32-26)25-9-24(40-18-28-31-6-7-39-28)17-37-29(25)21(10-30)13-34-37/h2-7,9,11-13,17,22-23H,8,14-16,18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	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))	BDBM296733 (US10112942, Example 468 | US10137124, Example 468 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCc3ncco3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H26N8O3/c1-38-27-5-2-19(11-33-27)14-36-22-8-23(36)16-35(15-22)26-4-3-20(12-32-26)25-9-24(40-18-28-31-6-7-39-28)17-37-29(25)21(10-30)13-34-37/h2-7,9,11-13,17,22-23H,8,14-16,18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	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 (Homo sapiens (Human))	BDBM296733 (US10112942, Example 468 | US10137124, Example 468 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCc3ncco3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H26N8O3/c1-38-27-5-2-19(11-33-27)14-36-22-8-23(36)16-35(15-22)26-4-3-20(12-32-26)25-9-24(40-18-28-31-6-7-39-28)17-37-29(25)21(10-30)13-34-37/h2-7,9,11-13,17,22-23H,8,14-16,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	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 (aa 658-1114) (Homo sapiens (Human))	BDBM296733 (US10112942, Example 468 | US10137124, Example 468 ...) Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCc3ncco3)cn3ncc(C#N)c23)cn1 Show InChI InChI=1S/C29H26N8O3/c1-38-27-5-2-19(11-33-27)14-36-22-8-23(36)16-35(15-22)26-4-3-20(12-32-26)25-9-24(40-18-28-31-6-7-39-28)17-37-29(25)21(10-30)13-34-37/h2-7,9,11-13,17,22-23H,8,14-16,18H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	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