BDBM50237165 CHEMBL4098859

SMILES: CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1

InChI Key: InChIKey=MWAPGIGSNBMUAD-CCPXZDFDSA-N

Data: 6 KI  8 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 14 hits for monomerid = 50237165   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50237165 (CHEMBL4098859) Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Concentration required for the inhibitory activity against human Farnesyltransferase				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237165 (CHEMBL4098859) Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50237165 (CHEMBL4098859) Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine D4 receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237165 (CHEMBL4098859) Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine D2L receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50237165 (CHEMBL4098859) Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50237165 (CHEMBL4098859) Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description In vitro binding affinity against Tachykinin receptor 1 in rabbit whole brain membranes using [3H][Sar9Met(O2)]-SP binding assay				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237165 (CHEMBL4098859) Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237165 (CHEMBL4098859) Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.210	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged GalphaoA ...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237165 (CHEMBL4098859) Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at ARMS2-PK2 tagged D2S receptor (unknown origin) expressed in HEK293 cells assessed as induction of EA-tagged beta-arrestin-2 recru...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237165 (CHEMBL4098859) Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.670	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Ability to displace [3H]SCH-23390 radioligand from cloned human Dopamine receptor D2 in CHO cells				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237165 (CHEMBL4098859) Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.170	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged GalphaoB ...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237165 (CHEMBL4098859) Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.490	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged Galphai1 ...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237165 (CHEMBL4098859) Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells assessed as induction of renilla luciferase 2-tagg...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50237165 (CHEMBL4098859) Show SMILES CCCN(CCCCOc1ccn2ncc(\C=N/O)c2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C25H32N4O3/c1-2-11-28(21-8-9-23-19(15-21)6-5-7-25(23)30)12-3-4-14-32-22-10-13-29-24(16-22)20(17-26-29)18-27-31/h5-7,10,13,16-18,21,30-31H,2-4,8-9,11-12,14-15H2,1H3/b27-18-/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.960	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Inhibition of [3H]NE uptake at Norepinephrine transporter in rat parietal/occipital cortex was determined				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair