BDBM50009353 1,5,10-triazadecane::4-azaoctamethylenediamine::4-azaoctane-1,8-diamine::CHEMBL19612::N-(3-aminopropyl)butane-1,4-diamine::spermidine

SMILES: NCCCCNCCCN

InChI Key: InChIKey=ATHGHQPFGPMSJY-UHFFFAOYSA-N

Data: 16 KI  2 IC50

PDB links: 105 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50009353   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Inc Curated by PDSP Ki Database									J Neurochem 70: 2147-55 (1998) Article DOI: 10.1046/j.1471-4159.1998.70052147.x BindingDB Entry DOI: 10.7270/Q2KP80Q7
					More data for this Ligand-Target Pair
Carbonic anhydrase 15 (Mus musculus)	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIII (Mus musculus (mouse))	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.41E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Ornithine decarboxylase (Rattus norvegicus)	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Sprague-Dawley rat prostate ornithine decarboxylase using DL-[1-14C]ornithine as substrate by liquid scintillation counting...				J Med Chem 21: 50-5 (1978) Article DOI: 10.1021/jm00199a009 BindingDB Entry DOI: 10.7270/Q2BR8TQP
					More data for this Ligand-Target Pair
Ornithine decarboxylase (Bos taurus)	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of bull prostate ornithine decarboxylase using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis				J Med Chem 21: 50-5 (1978) Article DOI: 10.1021/jm00199a009 BindingDB Entry DOI: 10.7270/Q2BR8TQP
					More data for this Ligand-Target Pair
DNA topoisomerase II (Homo sapiens (Human))	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of 3 nM recombinant human topoisomerase-2alpha catalytic activity expressed in Saccharomyces cerevisiae JEL1 harboring topoisomerase1 dele...				Bioorg Med Chem Lett 27: 4687-4693 (2017) Article DOI: 10.1016/j.bmcl.2017.09.011 BindingDB Entry DOI: 10.7270/Q21R6T0Q
					More data for this Ligand-Target Pair
Phosphodiesterase 1 (Bos taurus-BOVINE)	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair