BDBM305662 US10144734, Example 680::US10172845, Example 680::US10441581, Example 680::US10881652, Example 680

SMILES: CC1(CCN(CC1)c1ccc(cn1)-c1cc(OCC2(F)CNC2)cn2ncc(C#N)c12)NC(=O)c1ncccc1Cl

InChI Key: InChIKey=FQYBZNJJSDDGEW-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 = 305662   

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))	BDBM305662 (US10144734, Example 680 | US10172845, Example 680 ...) Show SMILES CC1(CCN(CC1)c1ccc(cn1)-c1cc(OCC2(F)CNC2)cn2ncc(C#N)c12)NC(=O)c1ncccc1Cl Show InChI InChI=1S/C29H28ClFN8O2/c1-28(37-27(40)25-23(30)3-2-8-34-25)6-9-38(10-7-28)24-5-4-19(13-35-24)22-11-21(41-18-29(31)16-33-17-29)15-39-26(22)20(12-32)14-36-39/h2-5,8,11,13-15,33H,6-7,9-10,16-18H2,1H3,(H,37,40)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	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))	BDBM305662 (US10144734, Example 680 | US10172845, Example 680 ...) Show SMILES CC1(CCN(CC1)c1ccc(cn1)-c1cc(OCC2(F)CNC2)cn2ncc(C#N)c12)NC(=O)c1ncccc1Cl Show InChI InChI=1S/C29H28ClFN8O2/c1-28(37-27(40)25-23(30)3-2-8-34-25)6-9-38(10-7-28)24-5-4-19(13-35-24)22-11-21(41-18-29(31)16-33-17-29)15-39-26(22)20(12-32)14-36-39/h2-5,8,11,13-15,33H,6-7,9-10,16-18H2,1H3,(H,37,40)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28.9	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))	BDBM305662 (US10144734, Example 680 | US10172845, Example 680 ...) Show SMILES CC1(CCN(CC1)c1ccc(cn1)-c1cc(OCC2(F)CNC2)cn2ncc(C#N)c12)NC(=O)c1ncccc1Cl Show InChI InChI=1S/C29H28ClFN8O2/c1-28(37-27(40)25-23(30)3-2-8-34-25)6-9-38(10-7-28)24-5-4-19(13-35-24)22-11-21(41-18-29(31)16-33-17-29)15-39-26(22)20(12-32)14-36-39/h2-5,8,11,13-15,33H,6-7,9-10,16-18H2,1H3,(H,37,40)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	88	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))	BDBM305662 (US10144734, Example 680 | US10172845, Example 680 ...) Show SMILES CC1(CCN(CC1)c1ccc(cn1)-c1cc(OCC2(F)CNC2)cn2ncc(C#N)c12)NC(=O)c1ncccc1Cl Show InChI InChI=1S/C29H28ClFN8O2/c1-28(37-27(40)25-23(30)3-2-8-34-25)6-9-38(10-7-28)24-5-4-19(13-35-24)22-11-21(41-18-29(31)16-33-17-29)15-39-26(22)20(12-32)14-36-39/h2-5,8,11,13-15,33H,6-7,9-10,16-18H2,1H3,(H,37,40)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	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))	BDBM305662 (US10144734, Example 680 | US10172845, Example 680 ...) Show SMILES CC1(CCN(CC1)c1ccc(cn1)-c1cc(OCC2(F)CNC2)cn2ncc(C#N)c12)NC(=O)c1ncccc1Cl Show InChI InChI=1S/C29H28ClFN8O2/c1-28(37-27(40)25-23(30)3-2-8-34-25)6-9-38(10-7-28)24-5-4-19(13-35-24)22-11-21(41-18-29(31)16-33-17-29)15-39-26(22)20(12-32)14-36-39/h2-5,8,11,13-15,33H,6-7,9-10,16-18H2,1H3,(H,37,40)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28.9	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))	BDBM305662 (US10144734, Example 680 | US10172845, Example 680 ...) Show SMILES CC1(CCN(CC1)c1ccc(cn1)-c1cc(OCC2(F)CNC2)cn2ncc(C#N)c12)NC(=O)c1ncccc1Cl Show InChI InChI=1S/C29H28ClFN8O2/c1-28(37-27(40)25-23(30)3-2-8-34-25)6-9-38(10-7-28)24-5-4-19(13-35-24)22-11-21(41-18-29(31)16-33-17-29)15-39-26(22)20(12-32)14-36-39/h2-5,8,11,13-15,33H,6-7,9-10,16-18H2,1H3,(H,37,40)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	88	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))	BDBM305662 (US10144734, Example 680 | US10172845, Example 680 ...) Show SMILES CC1(CCN(CC1)c1ccc(cn1)-c1cc(OCC2(F)CNC2)cn2ncc(C#N)c12)NC(=O)c1ncccc1Cl Show InChI InChI=1S/C29H28ClFN8O2/c1-28(37-27(40)25-23(30)3-2-8-34-25)6-9-38(10-7-28)24-5-4-19(13-35-24)22-11-21(41-18-29(31)16-33-17-29)15-39-26(22)20(12-32)14-36-39/h2-5,8,11,13-15,33H,6-7,9-10,16-18H2,1H3,(H,37,40)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	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))	BDBM305662 (US10144734, Example 680 | US10172845, Example 680 ...) Show SMILES CC1(CCN(CC1)c1ccc(cn1)-c1cc(OCC2(F)CNC2)cn2ncc(C#N)c12)NC(=O)c1ncccc1Cl Show InChI InChI=1S/C29H28ClFN8O2/c1-28(37-27(40)25-23(30)3-2-8-34-25)6-9-38(10-7-28)24-5-4-19(13-35-24)22-11-21(41-18-29(31)16-33-17-29)15-39-26(22)20(12-32)14-36-39/h2-5,8,11,13-15,33H,6-7,9-10,16-18H2,1H3,(H,37,40)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28.9	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))	BDBM305662 (US10144734, Example 680 | US10172845, Example 680 ...) Show SMILES CC1(CCN(CC1)c1ccc(cn1)-c1cc(OCC2(F)CNC2)cn2ncc(C#N)c12)NC(=O)c1ncccc1Cl Show InChI InChI=1S/C29H28ClFN8O2/c1-28(37-27(40)25-23(30)3-2-8-34-25)6-9-38(10-7-28)24-5-4-19(13-35-24)22-11-21(41-18-29(31)16-33-17-29)15-39-26(22)20(12-32)14-36-39/h2-5,8,11,13-15,33H,6-7,9-10,16-18H2,1H3,(H,37,40)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	88	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))	BDBM305662 (US10144734, Example 680 | US10172845, Example 680 ...) Show SMILES CC1(CCN(CC1)c1ccc(cn1)-c1cc(OCC2(F)CNC2)cn2ncc(C#N)c12)NC(=O)c1ncccc1Cl Show InChI InChI=1S/C29H28ClFN8O2/c1-28(37-27(40)25-23(30)3-2-8-34-25)6-9-38(10-7-28)24-5-4-19(13-35-24)22-11-21(41-18-29(31)16-33-17-29)15-39-26(22)20(12-32)14-36-39/h2-5,8,11,13-15,33H,6-7,9-10,16-18H2,1H3,(H,37,40)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	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))	BDBM305662 (US10144734, Example 680 | US10172845, Example 680 ...) Show SMILES CC1(CCN(CC1)c1ccc(cn1)-c1cc(OCC2(F)CNC2)cn2ncc(C#N)c12)NC(=O)c1ncccc1Cl Show InChI InChI=1S/C29H28ClFN8O2/c1-28(37-27(40)25-23(30)3-2-8-34-25)6-9-38(10-7-28)24-5-4-19(13-35-24)22-11-21(41-18-29(31)16-33-17-29)15-39-26(22)20(12-32)14-36-39/h2-5,8,11,13-15,33H,6-7,9-10,16-18H2,1H3,(H,37,40)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28.9	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))	BDBM305662 (US10144734, Example 680 | US10172845, Example 680 ...) Show SMILES CC1(CCN(CC1)c1ccc(cn1)-c1cc(OCC2(F)CNC2)cn2ncc(C#N)c12)NC(=O)c1ncccc1Cl Show InChI InChI=1S/C29H28ClFN8O2/c1-28(37-27(40)25-23(30)3-2-8-34-25)6-9-38(10-7-28)24-5-4-19(13-35-24)22-11-21(41-18-29(31)16-33-17-29)15-39-26(22)20(12-32)14-36-39/h2-5,8,11,13-15,33H,6-7,9-10,16-18H2,1H3,(H,37,40)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	88	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