BDBM50323740 CHEMBL303004

SMILES: NCCCCCCN

InChI Key: InChIKey=NAQMVNRVTILPCV-UHFFFAOYSA-N

Data: 13 KI

PDB links: 10 PDB IDs match this monomer.

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 13 hits for monomerid = 50323740   

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
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50323740 (CHEMBL303004) Show SMILES NCCCCCCN Show InChI InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	370	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
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50323740 (CHEMBL303004) Show SMILES NCCCCCCN Show InChI InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	410	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 7 (Homo sapiens (Human))	BDBM50323740 (CHEMBL303004) Show SMILES NCCCCCCN Show InChI InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	440	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 4 (Homo sapiens (Human))	BDBM50323740 (CHEMBL303004) Show SMILES NCCCCCCN Show InChI InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	450	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 VB (Homo sapiens (Human))	BDBM50323740 (CHEMBL303004) Show SMILES NCCCCCCN Show InChI InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	580	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
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM50323740 (CHEMBL303004) Show SMILES NCCCCCCN Show InChI InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	600	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 VA (Homo sapiens (Human))	BDBM50323740 (CHEMBL303004) Show SMILES NCCCCCCN Show InChI InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	610	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 XIV (Homo sapiens (Human))	BDBM50323740 (CHEMBL303004) Show SMILES NCCCCCCN Show InChI InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	640	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 15 (Mus musculus)	BDBM50323740 (CHEMBL303004) Show SMILES NCCCCCCN Show InChI InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	660	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 XIII (Mus musculus (mouse))	BDBM50323740 (CHEMBL303004) Show SMILES NCCCCCCN Show InChI InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	690	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 6 (CA-VI) (Homo sapiens (Human))	BDBM50323740 (CHEMBL303004) Show SMILES NCCCCCCN Show InChI InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	720	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 1 (Homo sapiens (Human))	BDBM50323740 (CHEMBL303004) Show SMILES NCCCCCCN Show InChI InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.26E+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 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 2 (Homo sapiens (Human))	BDBM50323740 (CHEMBL303004) Show SMILES NCCCCCCN Show InChI InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.44E+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 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)