BDBM768 4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one::CHEMBL16694::phenprocoumon

SMILES: CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O

InChI Key: InChIKey=DQDAYGNAKTZFIW-UHFFFAOYSA-N

Data: 3 KI  2 IC50

PDB links: 7 PDB IDs contain this monomer as substructures. 7 PDB IDs contain inhibitors having a similarity of 90% to 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 5 hits for monomerid = 768   

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
Vitamin K epoxide reductase complex subunit 1 (rVKORC1) (Rattus norvegicus (Rat))	BDBM768 (4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one | CH...) Show SMILES CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 27: 1598-1601 (2017) Article DOI: 10.1016/j.bmcl.2017.02.017 BindingDB Entry DOI: 10.7270/Q2XP7764
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM768 (4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one | CH...) Show SMILES CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn Curated by ChEMBL					Assay Description Binding affinity of the compound towards HIV protease was determined				J Med Chem 39: 4125-30 (1996) Article DOI: 10.1021/jm960296c BindingDB Entry DOI: 10.7270/Q2KH0MFB
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM768 (4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one | CH...) Show SMILES CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 37: 3200-4 (1994) Article DOI: 10.1021/jm00046a002 BindingDB Entry DOI: 10.7270/Q2KK98XK
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM768 (4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one | CH...) Show SMILES CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in Escherichia coli JM109				J Med Chem 49: 2417-30 (2006) Article DOI: 10.1021/jm0508538 BindingDB Entry DOI: 10.7270/Q2930TZX
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM768 (4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one | CH...) Show SMILES CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus 1 protease in MT-4 cells				Bioorg Med Chem Lett 15: 3257-62 (2005) Article DOI: 10.1016/j.bmcl.2005.04.057 BindingDB Entry DOI: 10.7270/Q20V8C9V
					More data for this Ligand-Target Pair