BDBM50391999 CHEMBL2152303

SMILES: C(N1CC[C@H](C1)n1cnc2cnc3[nH]ccc3c12)c1ccccc1

InChI Key: InChIKey=KOPPQNKTLPWVND-OAHLLOKOSA-N

Data: 4 KI

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 4 hits for monomerid = 50391999   

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))	BDBM50391999 (CHEMBL2152303) Show SMILES C(N1CC[C@H](C1)n1cnc2cnc3[nH]ccc3c12)c1ccccc1 |r| Show InChI InChI=1S/C19H19N5/c1-2-4-14(5-3-1)11-23-9-7-15(12-23)24-13-22-17-10-21-19-16(18(17)24)6-8-20-19/h1-6,8,10,13,15H,7,9,11-12H2,(H,20,21)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50391999 (CHEMBL2152303) Show SMILES C(N1CC[C@H](C1)n1cnc2cnc3[nH]ccc3c12)c1ccccc1 |r| Show InChI InChI=1S/C19H19N5/c1-2-4-14(5-3-1)11-23-9-7-15(12-23)24-13-22-17-10-21-19-16(18(17)24)6-8-20-19/h1-6,8,10,13,15H,7,9,11-12H2,(H,20,21)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK2				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50391999 (CHEMBL2152303) Show SMILES C(N1CC[C@H](C1)n1cnc2cnc3[nH]ccc3c12)c1ccccc1 |r| Show InChI InChI=1S/C19H19N5/c1-2-4-14(5-3-1)11-23-9-7-15(12-23)24-13-22-17-10-21-19-16(18(17)24)6-8-20-19/h1-6,8,10,13,15H,7,9,11-12H2,(H,20,21)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of TYK2				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50391999 (CHEMBL2152303) Show SMILES C(N1CC[C@H](C1)n1cnc2cnc3[nH]ccc3c12)c1ccccc1 |r| Show InChI InChI=1S/C19H19N5/c1-2-4-14(5-3-1)11-23-9-7-15(12-23)24-13-22-17-10-21-19-16(18(17)24)6-8-20-19/h1-6,8,10,13,15H,7,9,11-12H2,(H,20,21)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK3				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair