BDBM311699 Ex. Cpd. 151::US10807986, Example 151

SMILES: COCc1ccc(NC(=O)c2c(C#CCN3CCSCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1

InChI Key: InChIKey=WCZMXPGBQLLCRK-UHFFFAOYSA-N

Data: 6 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 9 hits for monomerid = 311699   

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))	BDBM311699 (Ex. Cpd. 151 | US10807986, Example 151 | US1104669...) Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCSCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1 Show InChI InChI=1S/C26H30N6O2S/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...				US Patent US10155768 (2018) BindingDB Entry DOI: 10.7270/Q2X350J3
					More data for this Ligand-Target Pair
RET kinase mutant (V804L) (Homo sapiens (Human))	BDBM311699 (Ex. Cpd. 151 | US10807986, Example 151 | US1104669...) Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCSCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1 Show InChI InChI=1S/C26H30N6O2S/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L) (i.e., RET with V804L mutation) kinase acti...				US Patent US10155768 (2018) BindingDB Entry DOI: 10.7270/Q2X350J3
					More data for this Ligand-Target Pair
RET kinase mutant (V804M) (Homo sapiens (Human))	BDBM311699 (Ex. Cpd. 151 | US10807986, Example 151 | US1104669...) Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCSCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1 Show InChI InChI=1S/C26H30N6O2S/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description RET (V804M) (i.e., RET with V804M mutation) kinase activity was measured using purified recombinant human RET (V804M) protein purchased from Eurofins...				US Patent US10155768 (2018) BindingDB Entry DOI: 10.7270/Q2X350J3
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM311699 (Ex. Cpd. 151 | US10807986, Example 151 | US1104669...) Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCSCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1 Show InChI InChI=1S/C26H30N6O2S/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...				US Patent US10807986 (2020)
					More data for this Ligand-Target Pair
RET kinase mutant (V804L) (Homo sapiens (Human))	BDBM311699 (Ex. Cpd. 151 | US10807986, Example 151 | US1104669...) Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCSCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1 Show InChI InChI=1S/C26H30N6O2S/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
RET kinase mutant (V804M) (Homo sapiens (Human))	BDBM311699 (Ex. Cpd. 151 | US10807986, Example 151 | US1104669...) Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCSCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1 Show InChI InChI=1S/C26H30N6O2S/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L or V804M) (i.e., RET with V804L or V804M mut...				US Patent US10807986 (2020)
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM311699 (Ex. Cpd. 151 | US10807986, Example 151 | US1104669...) Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCSCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1 Show InChI InChI=1S/C26H30N6O2S/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
RET kinase mutant (V804M) (Homo sapiens (Human))	BDBM311699 (Ex. Cpd. 151 | US10807986, Example 151 | US1104669...) Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCSCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1 Show InChI InChI=1S/C26H30N6O2S/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
RET kinase mutant (V804L) (Homo sapiens (Human))	BDBM311699 (Ex. Cpd. 151 | US10807986, Example 151 | US1104669...) Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCSCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1 Show InChI InChI=1S/C26H30N6O2S/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L or V804M) (i.e., RET with V804L or V804M mut...				US Patent US10807986 (2020)
					More data for this Ligand-Target Pair