BDBM50527913 CHEMBL4449567

SMILES: C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccnc2C)ncc1C

InChI Key: InChIKey=HXYKZHKEUGZUBG-LJQANCHMSA-N

Data: 4 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 4 hits for monomerid = 50527913   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50527913 (CHEMBL4449567) Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccnc2C)ncc1C |r| Show InChI InChI=1S/C27H32N8O/c1-17-15-30-27(32-22-9-6-10-28-18(22)2)33-24(17)21-16-29-25-20(21)7-5-8-23(25)31-26(36)19(3)35-13-11-34(4)12-14-35/h5-10,15-16,19,29H,11-14H2,1-4H3,(H,31,36)(H,30,32,33)/t19-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527913 (CHEMBL4449567) Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccnc2C)ncc1C |r| Show InChI InChI=1S/C27H32N8O/c1-17-15-30-27(32-22-9-6-10-28-18(22)2)33-24(17)21-16-29-25-20(21)7-5-8-23(25)31-26(36)19(3)35-13-11-34(4)12-14-35/h5-10,15-16,19,29H,11-14H2,1-4H3,(H,31,36)(H,30,32,33)/t19-/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	180	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of JAK1 in human NCI-H1975 cells assessed as decrease in STAT3 phosphorylation measured after 1 hr by ELISA				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50527913 (CHEMBL4449567) Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccnc2C)ncc1C |r| Show InChI InChI=1S/C27H32N8O/c1-17-15-30-27(32-22-9-6-10-28-18(22)2)33-24(17)21-16-29-25-20(21)7-5-8-23(25)31-26(36)19(3)35-13-11-34(4)12-14-35/h5-10,15-16,19,29H,11-14H2,1-4H3,(H,31,36)(H,30,32,33)/t19-/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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527913 (CHEMBL4449567) Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccnc2C)ncc1C |r| Show InChI InChI=1S/C27H32N8O/c1-17-15-30-27(32-22-9-6-10-28-18(22)2)33-24(17)21-16-29-25-20(21)7-5-8-23(25)31-26(36)19(3)35-13-11-34(4)12-14-35/h5-10,15-16,19,29H,11-14H2,1-4H3,(H,31,36)(H,30,32,33)/t19-/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	130	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392
					More data for this Ligand-Target Pair