BDBM50325180 6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)pyrrolidin-3-yl)-methyl)pyridin-2-amine::6-{[(3R,4R)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine::CHEMBL1222608

SMILES: Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccccc3)c2)n1

InChI Key: InChIKey=MKBQBMWQPUXDQQ-IERDGZPVSA-N

Data: 3 KI

PDB links: 1 PDB ID matches 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 3 hits for monomerid = 50325180   

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))	BDBM50325180 (6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)pyrrolidin-3...) Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccccc3)c2)n1 |r| Show InChI InChI=1S/C22H23N3O2/c23-22-11-4-6-17(25-22)12-16-14-24-15-21(16)27-20-10-5-9-19(13-20)26-18-7-2-1-3-8-18/h1-11,13,16,21,24H,12,14-15H2,(H2,23,25)/t16-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	3.00E+3	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				Bioorg Med Chem 18: 6526-37 (2010) Article DOI: 10.1016/j.bmc.2010.06.074 BindingDB Entry DOI: 10.7270/Q26110HX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50325180 (6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)pyrrolidin-3...) Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccccc3)c2)n1 |r| Show InChI InChI=1S/C22H23N3O2/c23-22-11-4-6-17(25-22)12-16-14-24-15-21(16)27-20-10-5-9-19(13-20)26-18-7-2-1-3-8-18/h1-11,13,16,21,24H,12,14-15H2,(H2,23,25)/t16-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>2.00E+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 mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				Bioorg Med Chem 18: 6526-37 (2010) Article DOI: 10.1016/j.bmc.2010.06.074 BindingDB Entry DOI: 10.7270/Q26110HX
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50325180 (6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)pyrrolidin-3...) Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccccc3)c2)n1 |r| Show InChI InChI=1S/C22H23N3O2/c23-22-11-4-6-17(25-22)12-16-14-24-15-21(16)27-20-10-5-9-19(13-20)26-18-7-2-1-3-8-18/h1-11,13,16,21,24H,12,14-15H2,(H2,23,25)/t16-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>2.00E+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				Bioorg Med Chem 18: 6526-37 (2010) Article DOI: 10.1016/j.bmc.2010.06.074 BindingDB Entry DOI: 10.7270/Q26110HX
					More data for this Ligand-Target Pair