BDBM387818 2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide::US10294226, Compound Ex. 1::US10487083, Example 1::US10981911, Example 1
SMILES: CC(C)(O)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
InChI Key:
Data: 20 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-... | Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q2C53P5D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 92.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-... | Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q2C53P5D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-... | Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q2C53P5D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK1 (aa 574-1154) (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV US Patent | Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut... | US Patent US10487083 (2019) BindingDB Entry DOI: 10.7270/Q2SX6GM6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK2 (aa 532-1132) (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV US Patent | Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut... | US Patent US10487083 (2019) BindingDB Entry DOI: 10.7270/Q2SX6GM6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK3 (aa 512-1124) (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 92.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV US Patent | Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut... | US Patent US10487083 (2019) BindingDB Entry DOI: 10.7270/Q2SX6GM6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TYK2 (aa 580-1182) (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV US Patent | Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut... | US Patent US10487083 (2019) BindingDB Entry DOI: 10.7270/Q2SX6GM6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK1/TYK2 (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 257 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development Curated by ChEMBL | Assay Description Inhibition of JAK1/Tyk2 in human PBMC assessed as reduction in IL12 -induced STAT4 phosphorylation pre-incubated for 30 mins before IL12 stimulation ... | J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK1/TYK2 (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development Curated by ChEMBL | Assay Description Inhibition of JAK1/Tyk2 in human PBMC assessed as reduction in IFNalpha-induced STAT4 phosphorylation pre-incubated for 30 mins before IFNalpha stimu... | J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development Curated by ChEMBL | Assay Description Inhibition of JAK2/JAK2 in human PBMC assessed as reduction in GM-CSF-induced STAT5 phosphorylation pre-incubated for 30 mins before GM-CSF stimulati... | J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development Curated by ChEMBL | Assay Description Inhibition of JAK2-JH1/JH2 domain (532 to 1132 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured... | J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development Curated by ChEMBL | Assay Description Inhibition of JAK1-JH1/JH2 domain (574 to 1154 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured... | J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development Curated by ChEMBL | Assay Description Inhibition of JAK3-JH1/JH2 domain (512 to 1124 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured... | J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK3/JAK1 (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development Curated by ChEMBL | Assay Description Inhibition of JAK1/JAK3 in human PBMC assessed as reduction in IL2-induced STAT5 phosphorylation pre-incubated for 30 mins before IL2 stimulation for... | J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Non-receptor tyrosine-protein kinase TYK2 (Mus musculus) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 299 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development Curated by ChEMBL | Assay Description Inhibition of JAK1/Tyk2-mediated STAT4 phosphorylation in IFNalpha-stimulated mouse whole blood | J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK1 (aa 574-1154) (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB GoogleScholar AffyNet ![]() | Purchase MCE 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 |
Janssen Pharmaceutica NV US Patent | Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut... | US Patent US10981911 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK2 (aa 532-1132) (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV US Patent | Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut... | US Patent US10981911 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK3 (aa 512-1124) (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 87.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV US Patent | Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut... | US Patent US10981911 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TYK2 [aa 580-1182,C936A,C1142A] (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV US Patent | Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut... | US Patent US10981911 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | n/a | n/a | 92.2 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM387818![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-... | Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q2C53P5D | |||||||||||
More data for this Ligand-Target Pair |