BDBM323448 4-((3-(3-Amino-1-Hydroxypropyl)Phenoxy)Methyl)Heptan-4-Ol::US10188615, Example 20::US10639286, Example 20

SMILES: CCCC(O)(CCC)COc1cccc(c1)C(O)CCN

InChI Key: InChIKey=NLJSHOJXPLFAMP-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 323448   

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
Retinoid isomerohydrolase (Homo sapiens (Human))	BDBM323448 (4-((3-(3-Amino-1-Hydroxypropyl)Phenoxy)Methyl)Hept...) Show SMILES CCCC(O)(CCC)COc1cccc(c1)C(O)CCN Show InChI InChI=1S/C17H29NO3/c1-3-9-17(20,10-4-2)13-21-15-7-5-6-14(12-15)16(19)8-11-18/h5-7,12,16,19-20H,3-4,8-11,13,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	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
Retinaldehyde-binding protein 1 (Homo sapiens (Human))	BDBM323448 (4-((3-(3-Amino-1-Hydroxypropyl)Phenoxy)Methyl)Hept...) Show SMILES CCCC(O)(CCC)COc1cccc(c1)C(O)CCN Show InChI InChI=1S/C17H29NO3/c1-3-9-17(20,10-4-2)13-21-15-7-5-6-14(12-15)16(19)8-11-18/h5-7,12,16,19-20H,3-4,8-11,13,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	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)	BDBM323448 (4-((3-(3-Amino-1-Hydroxypropyl)Phenoxy)Methyl)Hept...) Show SMILES CCCC(O)(CCC)COc1cccc(c1)C(O)CCN Show InChI InChI=1S/C17H29NO3/c1-3-9-17(20,10-4-2)13-21-15-7-5-6-14(12-15)16(19)8-11-18/h5-7,12,16,19-20H,3-4,8-11,13,18H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid 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
Retinoid isomerohydrolase (Bos taurus (Bovine))	BDBM323448 (4-((3-(3-Amino-1-Hydroxypropyl)Phenoxy)Methyl)Hept...) Show SMILES CCCC(O)(CCC)COc1cccc(c1)C(O)CCN Show InChI InChI=1S/C17H29NO3/c1-3-9-17(20,10-4-2)13-21-15-7-5-6-14(12-15)16(19)8-11-18/h5-7,12,16,19-20H,3-4,8-11,13,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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