BDBM305029 US10144734, Example 45::US10172845, Example 45::US10441581, Example 45::US10881652, Example 45

SMILES: CCOc1cc(-c2ccc(nc2)N2C[C@H](N)[C@H](C2)Oc2cnc(OC)c(F)c2)c2c(cnn2c1)C#N

InChI Key: InChIKey=XMHPDPALNSGILW-VXKWHMMOSA-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 = 305029   

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))	BDBM305029 (US10144734, Example 45 | US10172845, Example 45 | ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2C[C@H](N)[C@H](C2)Oc2cnc(OC)c(F)c2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C25H24FN7O3/c1-3-35-18-6-19(24-16(8-27)10-31-33(24)12-18)15-4-5-23(29-9-15)32-13-21(28)22(14-32)36-17-7-20(26)25(34-2)30-11-17/h4-7,9-12,21-22H,3,13-14,28H2,1-2H3/t21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
RET kinase mutant (V804M) (Homo sapiens (Human))	BDBM305029 (US10144734, Example 45 | US10172845, Example 45 | ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2C[C@H](N)[C@H](C2)Oc2cnc(OC)c(F)c2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C25H24FN7O3/c1-3-35-18-6-19(24-16(8-27)10-31-33(24)12-18)15-4-5-23(29-9-15)32-13-21(28)22(14-32)36-17-7-20(26)25(34-2)30-11-17/h4-7,9-12,21-22H,3,13-14,28H2,1-2H3/t21-,22-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.9	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 techn...				US Patent US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
RET kinase mutant (G810R) (Homo sapiens (Human))	BDBM305029 (US10144734, Example 45 | US10172845, Example 45 | ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2C[C@H](N)[C@H](C2)Oc2cnc(OC)c(F)c2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C25H24FN7O3/c1-3-35-18-6-19(24-16(8-27)10-31-33(24)12-18)15-4-5-23(29-9-15)32-13-21(28)22(14-32)36-17-7-20(26)25(34-2)30-11-17/h4-7,9-12,21-22H,3,13-14,28H2,1-2H3/t21-,22-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	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 US10144734 (2018) BindingDB Entry DOI: 10.7270/Q2251M8C
					More data for this Ligand-Target Pair
RET Kinase (aa 658-1114) (Homo sapiens (Human))	BDBM305029 (US10144734, Example 45 | US10172845, Example 45 | ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2C[C@H](N)[C@H](C2)Oc2cnc(OC)c(F)c2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C25H24FN7O3/c1-3-35-18-6-19(24-16(8-27)10-31-33(24)12-18)15-4-5-23(29-9-15)32-13-21(28)22(14-32)36-17-7-20(26)25(34-2)30-11-17/h4-7,9-12,21-22H,3,13-14,28H2,1-2H3/t21-,22-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	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 US10172845 (2019) BindingDB Entry DOI: 10.7270/Q2M90BR9
					More data for this Ligand-Target Pair
RET Kinase (V804M) (aa658-end) (Homo sapiens (Human))	BDBM305029 (US10144734, Example 45 | US10172845, Example 45 | ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2C[C@H](N)[C@H](C2)Oc2cnc(OC)c(F)c2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C25H24FN7O3/c1-3-35-18-6-19(24-16(8-27)10-31-33(24)12-18)15-4-5-23(29-9-15)32-13-21(28)22(14-32)36-17-7-20(26)25(34-2)30-11-17/h4-7,9-12,21-22H,3,13-14,28H2,1-2H3/t21-,22-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.9	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 US10172845 (2019) BindingDB Entry DOI: 10.7270/Q2M90BR9
					More data for this Ligand-Target Pair
RET kinase mutant (G810R) (Homo sapiens (Human))	BDBM305029 (US10144734, Example 45 | US10172845, Example 45 | ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2C[C@H](N)[C@H](C2)Oc2cnc(OC)c(F)c2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C25H24FN7O3/c1-3-35-18-6-19(24-16(8-27)10-31-33(24)12-18)15-4-5-23(29-9-15)32-13-21(28)22(14-32)36-17-7-20(26)25(34-2)30-11-17/h4-7,9-12,21-22H,3,13-14,28H2,1-2H3/t21-,22-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	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 US10881652 (2021)
					More data for this Ligand-Target Pair
RET Kinase (V804M) (aa658-end) (Homo sapiens (Human))	BDBM305029 (US10144734, Example 45 | US10172845, Example 45 | ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2C[C@H](N)[C@H](C2)Oc2cnc(OC)c(F)c2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C25H24FN7O3/c1-3-35-18-6-19(24-16(8-27)10-31-33(24)12-18)15-4-5-23(29-9-15)32-13-21(28)22(14-32)36-17-7-20(26)25(34-2)30-11-17/h4-7,9-12,21-22H,3,13-14,28H2,1-2H3/t21-,22-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	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 techn...				US Patent US10441581 (2019) BindingDB Entry DOI: 10.7270/Q2DZ0BP3
					More data for this Ligand-Target Pair
RET kinase mutant (G810R) (Homo sapiens (Human))	BDBM305029 (US10144734, Example 45 | US10172845, Example 45 | ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2C[C@H](N)[C@H](C2)Oc2cnc(OC)c(F)c2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C25H24FN7O3/c1-3-35-18-6-19(24-16(8-27)10-31-33(24)12-18)15-4-5-23(29-9-15)32-13-21(28)22(14-32)36-17-7-20(26)25(34-2)30-11-17/h4-7,9-12,21-22H,3,13-14,28H2,1-2H3/t21-,22-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.9	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 G810R mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assays contained...				US Patent US10441581 (2019) BindingDB Entry DOI: 10.7270/Q2DZ0BP3
					More data for this Ligand-Target Pair
RET kinase mutant (V804M) (Homo sapiens (Human))	BDBM305029 (US10144734, Example 45 | US10172845, Example 45 | ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2C[C@H](N)[C@H](C2)Oc2cnc(OC)c(F)c2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C25H24FN7O3/c1-3-35-18-6-19(24-16(8-27)10-31-33(24)12-18)15-4-5-23(29-9-15)32-13-21(28)22(14-32)36-17-7-20(26)25(34-2)30-11-17/h4-7,9-12,21-22H,3,13-14,28H2,1-2H3/t21-,22-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	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 G810R mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assays contained...				US Patent US10441581 (2019) BindingDB Entry DOI: 10.7270/Q2DZ0BP3
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM305029 (US10144734, Example 45 | US10172845, Example 45 | ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2C[C@H](N)[C@H](C2)Oc2cnc(OC)c(F)c2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C25H24FN7O3/c1-3-35-18-6-19(24-16(8-27)10-31-33(24)12-18)15-4-5-23(29-9-15)32-13-21(28)22(14-32)36-17-7-20(26)25(34-2)30-11-17/h4-7,9-12,21-22H,3,13-14,28H2,1-2H3/t21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Array Biopharma Inc. US Patent					Assay Description Wildtype and V804M mutant: Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's ...				US Patent US10881652 (2021)
					More data for this Ligand-Target Pair
RET kinase mutant (V804M) (Homo sapiens (Human))	BDBM305029 (US10144734, Example 45 | US10172845, Example 45 | ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2C[C@H](N)[C@H](C2)Oc2cnc(OC)c(F)c2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C25H24FN7O3/c1-3-35-18-6-19(24-16(8-27)10-31-33(24)12-18)15-4-5-23(29-9-15)32-13-21(28)22(14-32)36-17-7-20(26)25(34-2)30-11-17/h4-7,9-12,21-22H,3,13-14,28H2,1-2H3/t21-,22-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.9	n/a	n/a	n/a	n/a	n/a	n/a
Array Biopharma Inc. US Patent					Assay Description Wildtype and V804M mutant: Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's ...				US Patent US10881652 (2021)
					More data for this Ligand-Target Pair
RET kinase mutant (G810R) (Homo sapiens (Human))	BDBM305029 (US10144734, Example 45 | US10172845, Example 45 | ...) Show SMILES CCOc1cc(-c2ccc(nc2)N2C[C@H](N)[C@H](C2)Oc2cnc(OC)c(F)c2)c2c(cnn2c1)C#N |r| Show InChI InChI=1S/C25H24FN7O3/c1-3-35-18-6-19(24-16(8-27)10-31-33(24)12-18)15-4-5-23(29-9-15)32-13-21(28)22(14-32)36-17-7-20(26)25(34-2)30-11-17/h4-7,9-12,21-22H,3,13-14,28H2,1-2H3/t21-,22-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	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 G810R mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assays contained...				US Patent US10172845 (2019) BindingDB Entry DOI: 10.7270/Q2M90BR9
					More data for this Ligand-Target Pair