BDBM50466684 CHEMBL4281693

SMILES: O[C@@H]1Cc2ccc(cc2[C@H]1NC#N)-c1ncnc2[nH]ccc12

InChI Key: InChIKey=NDXRGNABFKHGTL-UKRRQHHQSA-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 6 hits for monomerid = 50466684   

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 JAK3 (Homo sapiens (Human))	BDBM50466684 (CHEMBL4281693) Show SMILES O[C@@H]1Cc2ccc(cc2[C@H]1NC#N)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H13N5O/c17-7-19-15-12-5-10(2-1-9(12)6-13(15)22)14-11-3-4-18-16(11)21-8-20-14/h1-5,8,13,15,19,22H,6H2,(H,18,20,21)/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of 1 mM ATP concentration by coupled PK/...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50466684 (CHEMBL4281693) Show SMILES O[C@@H]1Cc2ccc(cc2[C@H]1NC#N)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H13N5O/c17-7-19-15-12-5-10(2-1-9(12)6-13(15)22)14-11-3-4-18-16(11)21-8-20-14/h1-5,8,13,15,19,22H,6H2,(H,18,20,21)/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK1 using KAIETDKEYYTVKD-NH2 as substrate in presence of 1 mM ATP concentration by coupled PK/LDH assay				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50466684 (CHEMBL4281693) Show SMILES O[C@@H]1Cc2ccc(cc2[C@H]1NC#N)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H13N5O/c17-7-19-15-12-5-10(2-1-9(12)6-13(15)22)14-11-3-4-18-16(11)21-8-20-14/h1-5,8,13,15,19,22H,6H2,(H,18,20,21)/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK1 using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK/LDH assay				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50466684 (CHEMBL4281693) Show SMILES O[C@@H]1Cc2ccc(cc2[C@H]1NC#N)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H13N5O/c17-7-19-15-12-5-10(2-1-9(12)6-13(15)22)14-11-3-4-18-16(11)21-8-20-14/h1-5,8,13,15,19,22H,6H2,(H,18,20,21)/t13-,15-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged TYK2 expressed in SF21/baculovirus expression system using KAIETDKEYYTVKD-NH2 as substrate in presence of ...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466684 (CHEMBL4281693) Show SMILES O[C@@H]1Cc2ccc(cc2[C@H]1NC#N)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H13N5O/c17-7-19-15-12-5-10(2-1-9(12)6-13(15)22)14-11-3-4-18-16(11)21-8-20-14/h1-5,8,13,15,19,22H,6H2,(H,18,20,21)/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50466684 (CHEMBL4281693) Show SMILES O[C@@H]1Cc2ccc(cc2[C@H]1NC#N)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H13N5O/c17-7-19-15-12-5-10(2-1-9(12)6-13(15)22)14-11-3-4-18-16(11)21-8-20-14/h1-5,8,13,15,19,22H,6H2,(H,18,20,21)/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK2 using KAIETDKEYYTVKD-NH2 as substrate in presence of 1 mM ATP concentration by coupled PK/LDH assay				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair