BindingDB PrimarySearch

BDBM29233 CHEMBL508014::aminopyridine-pyrrolidine, 5

SMILES: NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1

InChI Key: InChIKey=BETYXZSFUFTOLC-GXSJLCMTSA-N

Data: 10 KI

PDB links: 2 PDB IDs match this monomer. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 29233
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM29233 (CHEMBL508014 \| aminopyridine-pyrrolidine, 5) Show SMILES NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	388	-8.89	n/a	n/a	n/a	n/a	n/a	7.5	30
University of California at Irvine					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				J Med Chem 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J
University of California at Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM29233 (CHEMBL508014 \| aminopyridine-pyrrolidine, 5) Show SMILES NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	388	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM29233 (CHEMBL508014 \| aminopyridine-pyrrolidine, 5) Show SMILES NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	388	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS				J Med Chem 53: 7804-24 (2010) Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM29233 (CHEMBL508014 \| aminopyridine-pyrrolidine, 5) Show SMILES NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	388	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of recombinant rat nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture as...				J Med Chem 59: 4913-25 (2016) BindingDB Entry DOI: 10.7270/Q2J38VHQ
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, brain Mutant (D597N/M336V) (Rattus norvegicus (rat))	BDBM29233 (CHEMBL508014 \| aminopyridine-pyrrolidine, 5) Show SMILES NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 \|r\| Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	3.67E+4	-6.15	n/a	n/a	n/a	n/a	n/a	7.5	30
University of California at Irvine					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				J Med Chem 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J
University of California at Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM29233 (CHEMBL508014 \| aminopyridine-pyrrolidine, 5) Show SMILES NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.84E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM29233 (CHEMBL508014 \| aminopyridine-pyrrolidine, 5) Show SMILES NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	5.84E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS				J Med Chem 53: 7804-24 (2010) Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM29233 (CHEMBL508014 \| aminopyridine-pyrrolidine, 5) Show SMILES NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.17E+5	-4.69	n/a	n/a	n/a	n/a	n/a	7.5	30
University of California at Irvine					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				J Med Chem 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J
University of California at Irvine					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM29233 (CHEMBL508014 \| aminopyridine-pyrrolidine, 5) Show SMILES NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of bovine recombinant eNOS				J Med Chem 53: 7804-24 (2010) Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM29233 (CHEMBL508014 \| aminopyridine-pyrrolidine, 5) Show SMILES NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair