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SMILES: CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]cc(C=O)c3c2C1

InChI Key: InChIKey=KTENZVQFGHICMF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50035343   

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 (Rattus norvegicus (rat))	BDBM50035343 (8-{[3-(3-Chloro-phenoxy)-propyl]-propyl-amino}-6,7...) Show SMILES CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]cc(C=O)c3c2C1 Show InChI InChI=1S/C25H29ClN2O2/c1-2-11-28(12-4-13-30-22-6-3-5-20(26)14-22)21-9-7-18-8-10-24-25(23(18)15-21)19(17-29)16-27-24/h3,5-6,8,10,14,16-17,21,27H,2,4,7,9,11-13,15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.				J Med Chem 38: 2217-30 (1995) BindingDB Entry DOI: 10.7270/Q28G8MBW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50035343 (8-{[3-(3-Chloro-phenoxy)-propyl]-propyl-amino}-6,7...) Show SMILES CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]cc(C=O)c3c2C1 Show InChI InChI=1S/C25H29ClN2O2/c1-2-11-28(12-4-13-30-22-6-3-5-20(26)14-22)21-9-7-18-8-10-24-25(23(18)15-21)19(17-29)16-27-24/h3,5-6,8,10,14,16-17,21,27H,2,4,7,9,11-13,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1D receptor alpha expressed in CHO cells, by using [3H]5-HT as radioligand				J Med Chem 38: 2217-30 (1995) BindingDB Entry DOI: 10.7270/Q28G8MBW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50035343 (8-{[3-(3-Chloro-phenoxy)-propyl]-propyl-amino}-6,7...) Show SMILES CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]cc(C=O)c3c2C1 Show InChI InChI=1S/C25H29ClN2O2/c1-2-11-28(12-4-13-30-22-6-3-5-20(26)14-22)21-9-7-18-8-10-24-25(23(18)15-21)19(17-29)16-27-24/h3,5-6,8,10,14,16-17,21,27H,2,4,7,9,11-13,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against cloned mammalian Dopamine receptor D2 expressed in CHO cells using [3H]U-86170 as radioligand				J Med Chem 38: 2217-30 (1995) BindingDB Entry DOI: 10.7270/Q28G8MBW
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50035343 (8-{[3-(3-Chloro-phenoxy)-propyl]-propyl-amino}-6,7...) Show SMILES CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]cc(C=O)c3c2C1 Show InChI InChI=1S/C25H29ClN2O2/c1-2-11-28(12-4-13-30-22-6-3-5-20(26)14-22)21-9-7-18-8-10-24-25(23(18)15-21)19(17-29)16-27-24/h3,5-6,8,10,14,16-17,21,27H,2,4,7,9,11-13,15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against cloned mammalian Dopamine receptor D3 expressed in CHO cells by, using [3H]-spiperone as radioligand				J Med Chem 38: 2217-30 (1995) BindingDB Entry DOI: 10.7270/Q28G8MBW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50035343 (8-{[3-(3-Chloro-phenoxy)-propyl]-propyl-amino}-6,7...) Show SMILES CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]cc(C=O)c3c2C1 Show InChI InChI=1S/C25H29ClN2O2/c1-2-11-28(12-4-13-30-22-6-3-5-20(26)14-22)21-9-7-18-8-10-24-25(23(18)15-21)19(17-29)16-27-24/h3,5-6,8,10,14,16-17,21,27H,2,4,7,9,11-13,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	187	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1D receptor beta expressed in CHO cells, by using [3H]5-HT as radioligand				J Med Chem 38: 2217-30 (1995) BindingDB Entry DOI: 10.7270/Q28G8MBW
					More data for this Ligand-Target Pair