BDBM81987 CHEMBL116048::McN-5652-15

SMILES: CSc1ccc(cc1)C1CN2CCCC2c2ccccc12

InChI Key: InChIKey=YVKDUIAAPBKHMJ-UHFFFAOYSA-N

Data: 8 KI

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 = 81987   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM81987 (CHEMBL116048 | McN-5652-15) Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccccc12 Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against Serotonin transporter (SERT) from LLC-PK1 cell membranes.				J Med Chem 42: 333-5 (1999) Article DOI: 10.1021/jm9806751 BindingDB Entry DOI: 10.7270/Q2TX3DJN
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM81987 (CHEMBL116048 | McN-5652-15) Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccccc12 Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested for inhibiting reuptake of [3H]- NE by norepinephrine transporter				J Med Chem 42: 333-5 (1999) Article DOI: 10.1021/jm9806751 BindingDB Entry DOI: 10.7270/Q2TX3DJN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM81987 (CHEMBL116048 | McN-5652-15) Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccccc12 Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McNeil Pharmaceutical Curated by PDSP Ki Database									J Pharmacol Exp Ther 247: 1032-8 (1988) BindingDB Entry DOI: 10.7270/Q2S75DV7
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM81987 (CHEMBL116048 | McN-5652-15) Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccccc12 Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3	GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3.29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McNeil Pharmaceutical Curated by PDSP Ki Database									J Pharmacol Exp Ther 247: 1032-8 (1988) BindingDB Entry DOI: 10.7270/Q2S75DV7
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM81987 (CHEMBL116048 | McN-5652-15) Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccccc12 Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against monoamine transporter NET (norepinephrine transporter) in LLC-PK1 cell membranes.				J Med Chem 42: 333-5 (1999) Article DOI: 10.1021/jm9806751 BindingDB Entry DOI: 10.7270/Q2TX3DJN
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM81987 (CHEMBL116048 | McN-5652-15) Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccccc12 Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Concentration of the compound inhibiting Dopamine transporter				J Med Chem 42: 333-5 (1999) Article DOI: 10.1021/jm9806751 BindingDB Entry DOI: 10.7270/Q2TX3DJN
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM81987 (CHEMBL116048 | McN-5652-15) Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccccc12 Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	69.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McNeil Pharmaceutical Curated by PDSP Ki Database									J Pharmacol Exp Ther 247: 1032-8 (1988) BindingDB Entry DOI: 10.7270/Q2S75DV7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM81987 (CHEMBL116048 | McN-5652-15) Show SMILES CSc1ccc(cc1)C1CN2CCCC2c2ccccc12 Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against Dopamine transporter in LLC-PK1 cell membranes.				J Med Chem 42: 333-5 (1999) Article DOI: 10.1021/jm9806751 BindingDB Entry DOI: 10.7270/Q2TX3DJN
					More data for this Ligand-Target Pair