BDBM50001117 8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6,9-dioxa-3-aza-cyclopenta[a]naphthalene-2-carboxylic acid methyl ester::CHEMBL318374

SMILES: COC(=O)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1

InChI Key: InChIKey=NBCYJDUUVPJJKY-UHFFFAOYSA-N

Data: 5 KI

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 = 50001117   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50001117 (8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6...) Show SMILES COC(=O)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1 Show InChI InChI=1S/C22H24N2O4/c1-26-22(25)19-12-17-18(24-19)9-10-20-21(17)28-16(14-27-20)13-23-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16,23-24H,5,8,11,13-14H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes				J Med Chem 35: 3058-66 (1992) BindingDB Entry DOI: 10.7270/Q21835G5
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50001117 (8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6...) Show SMILES COC(=O)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1 Show InChI InChI=1S/C22H24N2O4/c1-26-22(25)19-12-17-18(24-19)9-10-20-21(17)28-16(14-27-20)13-23-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16,23-24H,5,8,11,13-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using [3H]prazosin (18.1 Ci/mmol,0.9nanoM)as radioligand				J Med Chem 35: 3058-66 (1992) BindingDB Entry DOI: 10.7270/Q21835G5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001117 (8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6...) Show SMILES COC(=O)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1 Show InChI InChI=1S/C22H24N2O4/c1-26-22(25)19-12-17-18(24-19)9-10-20-21(17)28-16(14-27-20)13-23-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16,23-24H,5,8,11,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/mmol,1.7nanoM)as radioligand				J Med Chem 35: 3058-66 (1992) BindingDB Entry DOI: 10.7270/Q21835G5
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50001117 (8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6...) Show SMILES COC(=O)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1 Show InChI InChI=1S/C22H24N2O4/c1-26-22(25)19-12-17-18(24-19)9-10-20-21(17)28-16(14-27-20)13-23-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16,23-24H,5,8,11,13-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2 receptor expressed in CHO cell membranes using [3H]ketanserin (60 Ci/mmol, 1 nM)				J Med Chem 35: 3058-66 (1992) BindingDB Entry DOI: 10.7270/Q21835G5
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50001117 (8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6...) Show SMILES COC(=O)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1 Show InChI InChI=1S/C22H24N2O4/c1-26-22(25)19-12-17-18(24-19)9-10-20-21(17)28-16(14-27-20)13-23-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16,23-24H,5,8,11,13-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	765	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity towards opioid receptor from rat whole brain using [3H]etorpine (33.2 Ci/mmol,0.2nanoM)as radioligand				J Med Chem 35: 3058-66 (1992) BindingDB Entry DOI: 10.7270/Q21835G5
					More data for this Ligand-Target Pair