BDBM50525597 CHEMBL4587816

SMILES: Cc1cc(cc(c1)C1(CN)COC1)-c1ccnc2[nH]nc(c12)C(F)(F)F

InChI Key: InChIKey=UXZAPNVTOAXLTD-UHFFFAOYSA-N

Data: 3 KI  1 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 = 50525597   

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
Protein kinase C theta type (Homo sapiens (Human))	BDBM50525597 (CHEMBL4587816) Show SMILES Cc1cc(cc(c1)C1(CN)COC1)-c1ccnc2[nH]nc(c12)C(F)(F)F Show InChI InChI=1S/C18H17F3N4O/c1-10-4-11(6-12(5-10)17(7-22)8-26-9-17)13-2-3-23-16-14(13)15(24-25-16)18(19,20)21/h2-6H,7-9,22H2,1H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6...				ACS Med Chem Lett 10: 1134-1139 (2019) Article DOI: 10.1021/acsmedchemlett.9b00134
					More data for this Ligand-Target Pair
PKC alpha and beta-2 (Homo sapiens (Human))	BDBM50525597 (CHEMBL4587816) Show SMILES Cc1cc(cc(c1)C1(CN)COC1)-c1ccnc2[nH]nc(c12)C(F)(F)F Show InChI InChI=1S/C18H17F3N4O/c1-10-4-11(6-12(5-10)17(7-22)8-26-9-17)13-2-3-23-16-14(13)15(24-25-16)18(19,20)21/h2-6H,7-9,22H2,1H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant full length PKC alpha (unknown origin) using RRRRRKGSFKRKA peptide as substrate measured after 15 mins in presence of ATP b...				ACS Med Chem Lett 10: 1134-1139 (2019) Article DOI: 10.1021/acsmedchemlett.9b00134
					More data for this Ligand-Target Pair
Protein kinase C, PKC; classical/novel (Homo sapiens (Human))	BDBM50525597 (CHEMBL4587816) Show SMILES Cc1cc(cc(c1)C1(CN)COC1)-c1ccnc2[nH]nc(c12)C(F)(F)F Show InChI InChI=1S/C18H17F3N4O/c1-10-4-11(6-12(5-10)17(7-22)8-26-9-17)13-2-3-23-16-14(13)15(24-25-16)18(19,20)21/h2-6H,7-9,22H2,1H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	542	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of recombinant full length PKC delta (unknown origin) using ERMRPRKR- QGSVRRRV peptide as substrate measured after 15 mins in presence of ...				ACS Med Chem Lett 10: 1134-1139 (2019) Article DOI: 10.1021/acsmedchemlett.9b00134
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50525597 (CHEMBL4587816) Show SMILES Cc1cc(cc(c1)C1(CN)COC1)-c1ccnc2[nH]nc(c12)C(F)(F)F Show InChI InChI=1S/C18H17F3N4O/c1-10-4-11(6-12(5-10)17(7-22)8-26-9-17)13-2-3-23-16-14(13)15(24-25-16)18(19,20)21/h2-6H,7-9,22H2,1H3,(H,23,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				ACS Med Chem Lett 10: 1134-1139 (2019) Article DOI: 10.1021/acsmedchemlett.9b00134
					More data for this Ligand-Target Pair