BDBM29235 aminopyridine-pyrrolidine, 7

SMILES: Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(Cl)c2)c1

InChI Key: InChIKey=VWCMAGONQJHIJZ-LPHOPBHVSA-N

Data: 6 KI

PDB links: 2 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 6 hits for monomerid = 29235   

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
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM29235 (aminopyridine-pyrrolidine, 7) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(Cl)c2)c1 |r| Show InChI InChI=1S/C20H28ClN5/c1-14-7-18(26-20(22)8-14)10-16-12-24-13-19(16)25-6-5-23-11-15-3-2-4-17(21)9-15/h2-4,7-9,16,19,23-25H,5-6,10-13H2,1H3,(H2,22,26)/t16-,19-/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	250	-9.15	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM29235 (aminopyridine-pyrrolidine, 7) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(Cl)c2)c1 |r| Show InChI InChI=1S/C20H28ClN5/c1-14-7-18(26-20(22)8-14)10-16-12-24-13-19(16)25-6-5-23-11-15-3-2-4-17(21)9-15/h2-4,7-9,16,19,23-25H,5-6,10-13H2,1H3,(H2,22,26)/t16-,19-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	250	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
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, brain Mutant (D597N/M336V) (Rattus norvegicus (rat))	BDBM29235 (aminopyridine-pyrrolidine, 7) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(Cl)c2)c1 |r| Show InChI InChI=1S/C20H28ClN5/c1-14-7-18(26-20(22)8-14)10-16-12-24-13-19(16)25-6-5-23-11-15-3-2-4-17(21)9-15/h2-4,7-9,16,19,23-25H,5-6,10-13H2,1H3,(H2,22,26)/t16-,19-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	6.10E+3	-7.23	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM29235 (aminopyridine-pyrrolidine, 7) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(Cl)c2)c1 |r| Show InChI InChI=1S/C20H28ClN5/c1-14-7-18(26-20(22)8-14)10-16-12-24-13-19(16)25-6-5-23-11-15-3-2-4-17(21)9-15/h2-4,7-9,16,19,23-25H,5-6,10-13H2,1H3,(H2,22,26)/t16-,19-/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	4.41E+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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM29235 (aminopyridine-pyrrolidine, 7) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(Cl)c2)c1 |r| Show InChI InChI=1S/C20H28ClN5/c1-14-7-18(26-20(22)8-14)10-16-12-24-13-19(16)25-6-5-23-11-15-3-2-4-17(21)9-15/h2-4,7-9,16,19,23-25H,5-6,10-13H2,1H3,(H2,22,26)/t16-,19-/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	9.52E+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 bovine recombinant eNOS				J Med Chem 53: 7804-24 (2010) Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM29235 (aminopyridine-pyrrolidine, 7) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(Cl)c2)c1 |r| Show InChI InChI=1S/C20H28ClN5/c1-14-7-18(26-20(22)8-14)10-16-12-24-13-19(16)25-6-5-23-11-15-3-2-4-17(21)9-15/h2-4,7-9,16,19,23-25H,5-6,10-13H2,1H3,(H2,22,26)/t16-,19-/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	9.52E+4	-5.57	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
					More data for this Ligand-Target Pair				3D Structure (crystal)