BDBM50200550 CHEMBL3905486

SMILES: C1CCN(C1)c1cc(nc(n1)N1CCCC1)N1CCNCC1

InChI Key: InChIKey=XTPTVAPEXHUUDR-UHFFFAOYSA-N

Data: 3 KI  3 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 = 50200550   

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
Caspase-5 (Homo sapiens (Human))	BDBM50200550 (CHEMBL3905486) Show SMILES C1CCN(C1)c1cc(nc(n1)N1CCCC1)N1CCNCC1 Show InChI InChI=1S/C16H26N6/c1-2-8-20(7-1)14-13-15(21-11-5-17-6-12-21)19-16(18-14)22-9-3-4-10-22/h13,17H,1-12H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50200550 (CHEMBL3905486) Show SMILES C1CCN(C1)c1cc(nc(n1)N1CCCC1)N1CCNCC1 Show InChI InChI=1S/C16H26N6/c1-2-8-20(7-1)14-13-15(21-11-5-17-6-12-21)19-16(18-14)22-9-3-4-10-22/h13,17H,1-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-1 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubat...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-4 (Homo sapiens (Human))	BDBM50200550 (CHEMBL3905486) Show SMILES C1CCN(C1)c1cc(nc(n1)N1CCCC1)N1CCNCC1 Show InChI InChI=1S/C16H26N6/c1-2-8-20(7-1)14-13-15(21-11-5-17-6-12-21)19-16(18-14)22-9-3-4-10-22/h13,17H,1-12H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	207	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-4 expressed in Escherichia coli using Ac-LEVD-AMC as substrate preincubat...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-5 (Homo sapiens (Human))	BDBM50200550 (CHEMBL3905486) Show SMILES C1CCN(C1)c1cc(nc(n1)N1CCCC1)N1CCNCC1 Show InChI InChI=1S/C16H26N6/c1-2-8-20(7-1)14-13-15(21-11-5-17-6-12-21)19-16(18-14)22-9-3-4-10-22/h13,17H,1-12H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50200550 (CHEMBL3905486) Show SMILES C1CCN(C1)c1cc(nc(n1)N1CCCC1)N1CCNCC1 Show InChI InChI=1S/C16H26N6/c1-2-8-20(7-1)14-13-15(21-11-5-17-6-12-21)19-16(18-14)22-9-3-4-10-22/h13,17H,1-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	455	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-1 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubat...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-4 (Homo sapiens (Human))	BDBM50200550 (CHEMBL3905486) Show SMILES C1CCN(C1)c1cc(nc(n1)N1CCCC1)N1CCNCC1 Show InChI InChI=1S/C16H26N6/c1-2-8-20(7-1)14-13-15(21-11-5-17-6-12-21)19-16(18-14)22-9-3-4-10-22/h13,17H,1-12H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-4 expressed in Escherichia coli using Ac-LEVD-AMC as substrate preincubat...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair