BDBM50233625 CHEMBL4090568

SMILES: O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12

InChI Key: InChIKey=FQGGNELGQIQAHB-UHFFFAOYSA-N

Data: 4 KI  2 IC50  2 EC50

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 8 hits for monomerid = 50233625   

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 2A (Homo sapiens (Human))	BDBM50233625 (CHEMBL4090568) Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method				J Med Chem 58: 1550-5 (2015) BindingDB Entry DOI: 10.7270/Q2F76FTG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50233625 (CHEMBL4090568) Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method				J Med Chem 58: 1550-5 (2015) BindingDB Entry DOI: 10.7270/Q2F76FTG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50233625 (CHEMBL4090568) Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis				J Med Chem 58: 1550-5 (2015) BindingDB Entry DOI: 10.7270/Q2F76FTG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50233625 (CHEMBL4090568) Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis				J Med Chem 58: 1550-5 (2015) BindingDB Entry DOI: 10.7270/Q2F76FTG
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50233625 (CHEMBL4090568) Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Partial agonist activity at human mAChR1 receptor expressed in F1pIn CHO cells assessed as induction of intracellular calcium mobilization				J Med Chem 58: 1550-5 (2015) BindingDB Entry DOI: 10.7270/Q2F76FTG
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50233625 (CHEMBL4090568) Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Partial agonist activity at human mAChR1 receptor expressed in F1pIn CHO cells assessed as induction of intracellular calcium mobilization				J Med Chem 58: 1550-5 (2015) BindingDB Entry DOI: 10.7270/Q2F76FTG
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50233625 (CHEMBL4090568) Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human mAChR1 receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis				J Med Chem 58: 1550-5 (2015) BindingDB Entry DOI: 10.7270/Q2F76FTG
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50233625 (CHEMBL4090568) Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human mAChR1 receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis				J Med Chem 58: 1550-5 (2015) BindingDB Entry DOI: 10.7270/Q2F76FTG
					More data for this Ligand-Target Pair