BDBM81991 McN-5652-X-68

SMILES: CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12

InChI Key: InChIKey=YVKDUIAAPBKHMJ-MOPGFXCFSA-N

Data: 5 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 5 hits for monomerid = 81991   

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 (Rattus norvegicus (rat))	BDBM81991 (McN-5652-X-68) Show SMILES CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12 |r| 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/t18-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	0.400	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)	BDBM81991 (McN-5652-X-68) Show SMILES CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12 |r| 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/t18-,19+/m1/s1	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	1.82	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 (Rattus norvegicus (rat))	BDBM81991 (McN-5652-X-68) Show SMILES CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12 |r| 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/t18-,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	23.5	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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM81991 (McN-5652-X-68) Show SMILES CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12 |r| 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/t18-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	142	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
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM81991 (McN-5652-X-68) Show SMILES CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12 |r| 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/t18-,19+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	274	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