BDBM323415 3-Amino-1-(3-(cyclohexylmethoxy)Phenyl)Propan-1-Ol::US10188615, Example 4::US10639286, Example 4

SMILES: NCCC(O)c1cccc(OCC2CCCCC2)c1

InChI Key: InChIKey=WJIGGYYSZBWCGC-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 323415   

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
Retinoid isomerohydrolase (Homo sapiens (Human))	BDBM323415 (3-Amino-1-(3-(cyclohexylmethoxy)Phenyl)Propan-1-Ol...) Show SMILES NCCC(O)c1cccc(OCC2CCCCC2)c1 Show InChI InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
ACUCELA INC. US Patent					Assay Description Isomerase inhibition reactions were performed essentially as described (Stecher et al., J. Biol. Chem. 274:8577-85 (1999); see also Golczak et al., P...				US Patent US10188615 (2019) BindingDB Entry DOI: 10.7270/Q2NP26HC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoid isomerohydrolase (Bos taurus (Bovine))	BDBM323415 (3-Amino-1-(3-(cyclohexylmethoxy)Phenyl)Propan-1-Ol...) Show SMILES NCCC(O)c1cccc(OCC2CCCCC2)c1 Show InChI InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2	PDB UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
ACUCELA INC. US Patent					Assay Description Isomerase inhibition reactions were performed essentially as described (Stecher et al., J. Biol. Chem. 274:8577-85 (1999); see also Golczak et al., P...				US Patent US10188615 (2019) BindingDB Entry DOI: 10.7270/Q2NP26HC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoid isomerohydrolase (Bos taurus (Bovine))	BDBM323415 (3-Amino-1-(3-(cyclohexylmethoxy)Phenyl)Propan-1-Ol...) Show SMILES NCCC(O)c1cccc(OCC2CCCCC2)c1 Show InChI InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2	PDB UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	n/a	n/a	172	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Inhibition of RPE65 in bovine RPE microsomes assessed as reduction in 11-cis-retinol production using all-trans-retinol as substrate pre-incubated wi...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinaldehyde-binding protein 1 (Homo sapiens (Human))	BDBM323415 (3-Amino-1-(3-(cyclohexylmethoxy)Phenyl)Propan-1-Ol...) Show SMILES NCCC(O)c1cccc(OCC2CCCCC2)c1 Show InChI InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
ACUCELA INC. US Patent					Assay Description Isomerase inhibition reactions were performed essentially as described (Stecher et al., J Biol. Chem. 274:8577-85 (1999).				US Patent US10639286 (2020)
					More data for this Ligand-Target Pair
Retinaldehyde-binding protein 1 (Bovine)	BDBM323415 (3-Amino-1-(3-(cyclohexylmethoxy)Phenyl)Propan-1-Ol...) Show SMILES NCCC(O)c1cccc(OCC2CCCCC2)c1 Show InChI InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2	UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
ACUCELA INC. US Patent					Assay Description Isomerase inhibition reactions were performed essentially as described (Stecher et al., J Biol. Chem. 274:8577-85 (1999).				US Patent US10639286 (2020)
					More data for this Ligand-Target Pair