null

SMILES: CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1

InChI Key: InChIKey=IWAHIMCMPBOXKG-FQEVSTJZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50236740   

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(2) dopamine receptor (Homo sapiens (Human))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	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(3) dopamine receptor (Homo sapiens (Human))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	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 Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...				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))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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 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))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	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
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	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 Inhibition of HDJ-2 farnesylation in PSN-1 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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+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(2) dopamine receptor (Homo sapiens (Human))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Inhibitory activity against mammalian protein-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(3) dopamine receptor (Homo sapiens (Human))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.430	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood 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(3) dopamine receptor (Homo sapiens (Human))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.427	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood 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))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	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))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.120	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))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.800	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 Galphai3 ...				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))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.120	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))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK 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))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	55	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))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.650	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 Galphai2 ...				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))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human Dopamine D2S receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 min...				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))	BDBM50236740 (CHEMBL4078348) Show SMILES CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H31N3O2/c1-2-13-26(20-8-9-23-19(17-20)6-5-7-24(23)28)14-3-4-16-29-22-11-15-27-21(18-22)10-12-25-27/h5-7,10-12,15,18,20,28H,2-4,8-9,13-14,16-17H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.90	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Human progesterone receptor (hPR) agonist activity in T47D human breast cancer cell line				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