BDBM50001109 8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylmethyl)-7,8-dihydro-3H-6,9-dioxa-3-aza-cyclopenta[a]naphthalene-2-carboxylic acid butyl ester::CHEMBL102175

SMILES: CCCCOC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1

InChI Key: InChIKey=GLHCMRRMBLASQA-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 = 50001109   

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))	BDBM50001109 (8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...) Show SMILES CCCCOC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1 Show InChI InChI=1S/C29H34N4O5/c1-2-3-15-36-27(34)24-16-22-23(31-24)9-10-25-26(22)38-21(18-37-25)17-32-13-11-29(12-14-32)28(35)30-19-33(29)20-7-5-4-6-8-20/h4-10,16,21,31H,2-3,11-15,17-19H2,1H3,(H,30,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	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
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50001109 (8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...) Show SMILES CCCCOC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1 Show InChI InChI=1S/C29H34N4O5/c1-2-3-15-36-27(34)24-16-22-23(31-24)9-10-25-26(22)38-21(18-37-25)17-32-13-11-29(12-14-32)28(35)30-19-33(29)20-7-5-4-6-8-20/h4-10,16,21,31H,2-3,11-15,17-19H2,1H3,(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001109 (8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...) Show SMILES CCCCOC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1 Show InChI InChI=1S/C29H34N4O5/c1-2-3-15-36-27(34)24-16-22-23(31-24)9-10-25-26(22)38-21(18-37-25)17-32-13-11-29(12-14-32)28(35)30-19-33(29)20-7-5-4-6-8-20/h4-10,16,21,31H,2-3,11-15,17-19H2,1H3,(H,30,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70	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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50001109 (8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...) Show SMILES CCCCOC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1 Show InChI InChI=1S/C29H34N4O5/c1-2-3-15-36-27(34)24-16-22-23(31-24)9-10-25-26(22)38-21(18-37-25)17-32-13-11-29(12-14-32)28(35)30-19-33(29)20-7-5-4-6-8-20/h4-10,16,21,31H,2-3,11-15,17-19H2,1H3,(H,30,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	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
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50001109 (8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...) Show SMILES CCCCOC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1 Show InChI InChI=1S/C29H34N4O5/c1-2-3-15-36-27(34)24-16-22-23(31-24)9-10-25-26(22)38-21(18-37-25)17-32-13-11-29(12-14-32)28(35)30-19-33(29)20-7-5-4-6-8-20/h4-10,16,21,31H,2-3,11-15,17-19H2,1H3,(H,30,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	93	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