BDBM50301695 5-(5-((4-cyclopentylpiperazin-1-yl)methyl)furan-3-yl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile::CHEMBL568581

SMILES: Cc1c(Nc2c(cncc2-c2coc(CN3CCN(CC3)C3CCCC3)c2)C#N)ccc2[nH]ccc12

InChI Key: InChIKey=PCMKNGBJTSLXPM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50301695   

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 delta type (Homo sapiens (Human))	BDBM50301695 (5-(5-((4-cyclopentylpiperazin-1-yl)methyl)furan-3-...) Show SMILES Cc1c(Nc2c(cncc2-c2coc(CN3CCN(CC3)C3CCCC3)c2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C29H32N6O/c1-20-25-8-9-32-28(25)7-6-27(20)33-29-22(15-30)16-31-17-26(29)21-14-24(36-19-21)18-34-10-12-35(13-11-34)23-4-2-3-5-23/h6-9,14,16-17,19,23,32H,2-5,10-13,18H2,1H3,(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human PKCdelta by IMAP kinase assay				Bioorg Med Chem Lett 19: 5423-5 (2009) Article DOI: 10.1016/j.bmcl.2009.07.109 BindingDB Entry DOI: 10.7270/Q2V69JPF
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50301695 (5-(5-((4-cyclopentylpiperazin-1-yl)methyl)furan-3-...) Show SMILES Cc1c(Nc2c(cncc2-c2coc(CN3CCN(CC3)C3CCCC3)c2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C29H32N6O/c1-20-25-8-9-32-28(25)7-6-27(20)33-29-22(15-30)16-31-17-26(29)21-14-24(36-19-21)18-34-10-12-35(13-11-34)23-4-2-3-5-23/h6-9,14,16-17,19,23,32H,2-5,10-13,18H2,1H3,(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human PKCtheta by IMAP kinase assay				Bioorg Med Chem Lett 19: 5423-5 (2009) Article DOI: 10.1016/j.bmcl.2009.07.109 BindingDB Entry DOI: 10.7270/Q2V69JPF
					More data for this Ligand-Target Pair