BDBM325541 US10189845, Example 203B::US10730880, Example 203

SMILES: CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@](C)(O)CO)c1

InChI Key: InChIKey=ACJCSGITKCJZNM-NRFANRHFSA-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 = 325541   

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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM325541 (US10189845, Example 203B | US10730880, Example 203...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@](C)(O)CO)c1 |r| Show InChI InChI=1S/C21H27N7O2/c1-4-17(5-2)27-11-16(9-24-27)20-19-6-7-22-28(19)12-18(25-20)15-8-23-26(10-15)13-21(3,30)14-29/h6-12,17,29-30H,4-5,13-14H2,1-3H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	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 Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10189845 (2019) BindingDB Entry DOI: 10.7270/Q2Z03B7Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM325541 (US10189845, Example 203B | US10730880, Example 203...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@](C)(O)CO)c1 |r| Show InChI InChI=1S/C21H27N7O2/c1-4-17(5-2)27-11-16(9-24-27)20-19-6-7-22-28(19)12-18(25-20)15-8-23-26(10-15)13-21(3,30)14-29/h6-12,17,29-30H,4-5,13-14H2,1-3H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	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 JAK1 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10189845 (2019) BindingDB Entry DOI: 10.7270/Q2Z03B7Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM325541 (US10189845, Example 203B | US10730880, Example 203...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@](C)(O)CO)c1 |r| Show InChI InChI=1S/C21H27N7O2/c1-4-17(5-2)27-11-16(9-24-27)20-19-6-7-22-28(19)12-18(25-20)15-8-23-26(10-15)13-21(3,30)14-29/h6-12,17,29-30H,4-5,13-14H2,1-3H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	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 JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10189845 (2019) BindingDB Entry DOI: 10.7270/Q2Z03B7Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM325541 (US10189845, Example 203B | US10730880, Example 203...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@](C)(O)CO)c1 |r| Show InChI InChI=1S/C21H27N7O2/c1-4-17(5-2)27-11-16(9-24-27)20-19-6-7-22-28(19)12-18(25-20)15-8-23-26(10-15)13-21(3,30)14-29/h6-12,17,29-30H,4-5,13-14H2,1-3H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	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 JAK3 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10189845 (2019) BindingDB Entry DOI: 10.7270/Q2Z03B7Q
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM325541 (US10189845, Example 203B | US10730880, Example 203...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@](C)(O)CO)c1 |r| Show InChI InChI=1S/C21H27N7O2/c1-4-17(5-2)27-11-16(9-24-27)20-19-6-7-22-28(19)12-18(25-20)15-8-23-26(10-15)13-21(3,30)14-29/h6-12,17,29-30H,4-5,13-14H2,1-3H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc.; Celgene Corporation US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10730880 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM325541 (US10189845, Example 203B | US10730880, Example 203...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@](C)(O)CO)c1 |r| Show InChI InChI=1S/C21H27N7O2/c1-4-17(5-2)27-11-16(9-24-27)20-19-6-7-22-28(19)12-18(25-20)15-8-23-26(10-15)13-21(3,30)14-29/h6-12,17,29-30H,4-5,13-14H2,1-3H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
ARRAY BIOPHARMA INC.; CELGENE CORPORATION US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK3 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US11028093 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM325541 (US10189845, Example 203B | US10730880, Example 203...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@](C)(O)CO)c1 |r| Show InChI InChI=1S/C21H27N7O2/c1-4-17(5-2)27-11-16(9-24-27)20-19-6-7-22-28(19)12-18(25-20)15-8-23-26(10-15)13-21(3,30)14-29/h6-12,17,29-30H,4-5,13-14H2,1-3H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc.; Celgene Corporation US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10730880 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM325541 (US10189845, Example 203B | US10730880, Example 203...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@](C)(O)CO)c1 |r| Show InChI InChI=1S/C21H27N7O2/c1-4-17(5-2)27-11-16(9-24-27)20-19-6-7-22-28(19)12-18(25-20)15-8-23-26(10-15)13-21(3,30)14-29/h6-12,17,29-30H,4-5,13-14H2,1-3H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc.; Celgene Corporation US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK3 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10730880 (2020)
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM325541 (US10189845, Example 203B | US10730880, Example 203...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@](C)(O)CO)c1 |r| Show InChI InChI=1S/C21H27N7O2/c1-4-17(5-2)27-11-16(9-24-27)20-19-6-7-22-28(19)12-18(25-20)15-8-23-26(10-15)13-21(3,30)14-29/h6-12,17,29-30H,4-5,13-14H2,1-3H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
ARRAY BIOPHARMA INC.; CELGENE CORPORATION US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US11028093 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM325541 (US10189845, Example 203B | US10730880, Example 203...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@](C)(O)CO)c1 |r| Show InChI InChI=1S/C21H27N7O2/c1-4-17(5-2)27-11-16(9-24-27)20-19-6-7-22-28(19)12-18(25-20)15-8-23-26(10-15)13-21(3,30)14-29/h6-12,17,29-30H,4-5,13-14H2,1-3H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
ARRAY BIOPHARMA INC.; CELGENE CORPORATION US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK1 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US11028093 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM325541 (US10189845, Example 203B | US10730880, Example 203...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@](C)(O)CO)c1 |r| Show InChI InChI=1S/C21H27N7O2/c1-4-17(5-2)27-11-16(9-24-27)20-19-6-7-22-28(19)12-18(25-20)15-8-23-26(10-15)13-21(3,30)14-29/h6-12,17,29-30H,4-5,13-14H2,1-3H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
ARRAY BIOPHARMA INC.; CELGENE CORPORATION US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US11028093 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM325541 (US10189845, Example 203B | US10730880, Example 203...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@](C)(O)CO)c1 |r| Show InChI InChI=1S/C21H27N7O2/c1-4-17(5-2)27-11-16(9-24-27)20-19-6-7-22-28(19)12-18(25-20)15-8-23-26(10-15)13-21(3,30)14-29/h6-12,17,29-30H,4-5,13-14H2,1-3H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc.; Celgene Corporation US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK1 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10730880 (2020)
					More data for this Ligand-Target Pair