BDBM50080797 7-[(2-Phenylamino-ethylamino)-methyl]-chromen-2-one::CHEMBL332154

SMILES: O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1

InChI Key: InChIKey=RNNKCHJUBXFBQB-UHFFFAOYSA-N

Data: 6 KI  1 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 7 hits for monomerid = 50080797   

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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50080797 (7-[(2-Phenylamino-ethylamino)-methyl]-chromen-2-on...) Show SMILES O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1 Show InChI InChI=1S/C18H18N2O2/c21-18-9-8-15-7-6-14(12-17(15)22-18)13-19-10-11-20-16-4-2-1-3-5-16/h1-9,12,19-20H,10-11,13H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2				J Med Chem 42: 3718-25 (1999) Article DOI: 10.1021/jm990266k BindingDB Entry DOI: 10.7270/Q2RN371G
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50080797 (7-[(2-Phenylamino-ethylamino)-methyl]-chromen-2-on...) Show SMILES O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1 Show InChI InChI=1S/C18H18N2O2/c21-18-9-8-15-7-6-14(12-17(15)22-18)13-19-10-11-20-16-4-2-1-3-5-16/h1-9,12,19-20H,10-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	424	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was tested for binding affinity using [3H]spiperone against cloned human Dopamine receptor D3 expressed in CHO-K1 cells				J Med Chem 42: 3718-25 (1999) Article DOI: 10.1021/jm990266k BindingDB Entry DOI: 10.7270/Q2RN371G
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Rattus norvegicus (rat))	BDBM50080797 (7-[(2-Phenylamino-ethylamino)-methyl]-chromen-2-on...) Show SMILES O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1 Show InChI InChI=1S/C18H18N2O2/c21-18-9-8-15-7-6-14(12-17(15)22-18)13-19-10-11-20-16-4-2-1-3-5-16/h1-9,12,19-20H,10-11,13H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was tested for binding affinity using [3H]prazosin against Alpha-1 adrenergic receptor				J Med Chem 42: 3718-25 (1999) Article DOI: 10.1021/jm990266k BindingDB Entry DOI: 10.7270/Q2RN371G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A) (Mus musculus (Mouse))	BDBM50080797 (7-[(2-Phenylamino-ethylamino)-methyl]-chromen-2-on...) Show SMILES O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1 Show InChI InChI=1S/C18H18N2O2/c21-18-9-8-15-7-6-14(12-17(15)22-18)13-19-10-11-20-16-4-2-1-3-5-16/h1-9,12,19-20H,10-11,13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was tested for binding affinity using [3H]8-OH-DPAT against 5-hydroxytryptamine 1A receptor				J Med Chem 42: 3718-25 (1999) Article DOI: 10.1021/jm990266k BindingDB Entry DOI: 10.7270/Q2RN371G
					More data for this Ligand-Target Pair
Serotonin 2a (5-HT2a) receptor (BOVINE)	BDBM50080797 (7-[(2-Phenylamino-ethylamino)-methyl]-chromen-2-on...) Show SMILES O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1 Show InChI InChI=1S/C18H18N2O2/c21-18-9-8-15-7-6-14(12-17(15)22-18)13-19-10-11-20-16-4-2-1-3-5-16/h1-9,12,19-20H,10-11,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>4.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was tested for binding affinity using [3H]ketanserin against 5-hydroxytryptamine 2 receptor				J Med Chem 42: 3718-25 (1999) Article DOI: 10.1021/jm990266k BindingDB Entry DOI: 10.7270/Q2RN371G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Rattus norvegicus)	BDBM50080797 (7-[(2-Phenylamino-ethylamino)-methyl]-chromen-2-on...) Show SMILES O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1 Show InChI InChI=1S/C18H18N2O2/c21-18-9-8-15-7-6-14(12-17(15)22-18)13-19-10-11-20-16-4-2-1-3-5-16/h1-9,12,19-20H,10-11,13H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was tested for binding affinity using [3H]MK-912 against Alpha-2 adrenergic receptor				J Med Chem 42: 3718-25 (1999) Article DOI: 10.1021/jm990266k BindingDB Entry DOI: 10.7270/Q2RN371G
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50080797 (7-[(2-Phenylamino-ethylamino)-methyl]-chromen-2-on...) Show SMILES O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1 Show InChI InChI=1S/C18H18N2O2/c21-18-9-8-15-7-6-14(12-17(15)22-18)13-19-10-11-20-16-4-2-1-3-5-16/h1-9,12,19-20H,10-11,13H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [3H]-thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2				J Med Chem 42: 3718-25 (1999) Article DOI: 10.1021/jm990266k BindingDB Entry DOI: 10.7270/Q2RN371G
					More data for this Ligand-Target Pair