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SMILES: CCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1

InChI Key: InChIKey=UQIBBMPERXPJEF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50035341   

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))	BDBM50035341 (Benzyl-propyl-(6,7,8,9-tetrahydro-3H-benzo[e]indol...) Show SMILES CCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1 Show InChI InChI=1S/C22H26N2/c1-2-14-24(16-17-6-4-3-5-7-17)19-10-8-18-9-11-22-20(12-13-23-22)21(18)15-19/h3-7,9,11-13,19,23H,2,8,10,14-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.90	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50035341 (Benzyl-propyl-(6,7,8,9-tetrahydro-3H-benzo[e]indol...) Show SMILES CCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1 Show InChI InChI=1S/C22H26N2/c1-2-14-24(16-17-6-4-3-5-7-17)19-10-8-18-9-11-22-20(12-13-23-22)21(18)15-19/h3-7,9,11-13,19,23H,2,8,10,14-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Binding affinity rat Dopamine receptor D2 expressed in CHO-K1 cells by [3H]U-86170 displacement.				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))	BDBM50035341 (Benzyl-propyl-(6,7,8,9-tetrahydro-3H-benzo[e]indol...) Show SMILES CCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1 Show InChI InChI=1S/C22H26N2/c1-2-14-24(16-17-6-4-3-5-7-17)19-10-8-18-9-11-22-20(12-13-23-22)21(18)15-19/h3-7,9,11-13,19,23H,2,8,10,14-16H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	43	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 1D (Homo sapiens (Human))	BDBM50035341 (Benzyl-propyl-(6,7,8,9-tetrahydro-3H-benzo[e]indol...) Show SMILES CCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1 Show InChI InChI=1S/C22H26N2/c1-2-14-24(16-17-6-4-3-5-7-17)19-10-8-18-9-11-22-20(12-13-23-22)21(18)15-19/h3-7,9,11-13,19,23H,2,8,10,14-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	192	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
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50035341 (Benzyl-propyl-(6,7,8,9-tetrahydro-3H-benzo[e]indol...) Show SMILES CCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1 Show InChI InChI=1S/C22H26N2/c1-2-14-24(16-17-6-4-3-5-7-17)19-10-8-18-9-11-22-20(12-13-23-22)21(18)15-19/h3-7,9,11-13,19,23H,2,8,10,14-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.61E+3	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