BDBM82548 CAS_897-15-4::Dothiepin::NSC_3155

SMILES: CN(C)CCC=C1c2ccccc2CSc2ccccc12

InChI Key: InChIKey=PHTUQLWOUWZIMZ-UHFFFAOYSA-N

Data: 19 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 19 hits for monomerid = 82548   

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
Histamine H1 receptor (RAT)	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Cell Mol Neurobiol 19: 467-89 (1999) Article DOI: 10.1023/a:1006986824213 BindingDB Entry DOI: 10.7270/Q2WQ02CP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP Ki Database									Eur J Pharmacol 340: 249-58 (1997) Article DOI: 10.1016/s0014-2999(97)01393-9 BindingDB Entry DOI: 10.7270/Q2V69H3D
					More data for this Ligand-Target Pair
adrenergic Alpha2 (RAT)	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Cell Mol Neurobiol 19: 467-89 (1999) Article DOI: 10.1023/a:1006986824213 BindingDB Entry DOI: 10.7270/Q2WQ02CP
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation Curated by PDSP Ki Database									Biochem Pharmacol 45: 2352-4 (1993) Article DOI: 10.1016/0006-2952(93)90211-e BindingDB Entry DOI: 10.7270/Q2F76B2C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Cell Mol Neurobiol 19: 467-89 (1999) Article DOI: 10.1023/a:1006986824213 BindingDB Entry DOI: 10.7270/Q2WQ02CP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	31.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boots Pharmaceuticals Curated by PDSP Ki Database									Neuropharmacology 32: 737-43 (1993) Article DOI: 10.1016/0028-3908(93)90181-2 BindingDB Entry DOI: 10.7270/Q22J69D4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation Curated by PDSP Ki Database									Biochem Pharmacol 45: 2352-4 (1993) Article DOI: 10.1016/0006-2952(93)90211-e BindingDB Entry DOI: 10.7270/Q2F76B2C
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP Ki Database									Eur J Pharmacol 340: 249-58 (1997) Article DOI: 10.1016/s0014-2999(97)01393-9 BindingDB Entry DOI: 10.7270/Q2V69H3D
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation Curated by PDSP Ki Database									Biochem Pharmacol 45: 2352-4 (1993) Article DOI: 10.1016/0006-2952(93)90211-e BindingDB Entry DOI: 10.7270/Q2F76B2C
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Cell Mol Neurobiol 19: 467-89 (1999) Article DOI: 10.1023/a:1006986824213 BindingDB Entry DOI: 10.7270/Q2WQ02CP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	77.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boots Pharmaceuticals Curated by PDSP Ki Database									Neuropharmacology 32: 737-43 (1993) Article DOI: 10.1016/0028-3908(93)90181-2 BindingDB Entry DOI: 10.7270/Q22J69D4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Cell Mol Neurobiol 19: 467-89 (1999) Article DOI: 10.1023/a:1006986824213 BindingDB Entry DOI: 10.7270/Q2WQ02CP
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation Curated by PDSP Ki Database									Biochem Pharmacol 45: 2352-4 (1993) Article DOI: 10.1016/0006-2952(93)90211-e BindingDB Entry DOI: 10.7270/Q2F76B2C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation Curated by PDSP Ki Database									Biochem Pharmacol 45: 2352-4 (1993) Article DOI: 10.1016/0006-2952(93)90211-e BindingDB Entry DOI: 10.7270/Q2F76B2C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Cell Mol Neurobiol 19: 467-89 (1999) Article DOI: 10.1023/a:1006986824213 BindingDB Entry DOI: 10.7270/Q2WQ02CP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	419	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Cell Mol Neurobiol 19: 467-89 (1999) Article DOI: 10.1023/a:1006986824213 BindingDB Entry DOI: 10.7270/Q2WQ02CP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Cell Mol Neurobiol 19: 467-89 (1999) Article DOI: 10.1023/a:1006986824213 BindingDB Entry DOI: 10.7270/Q2WQ02CP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Cell Mol Neurobiol 19: 467-89 (1999) Article DOI: 10.1023/a:1006986824213 BindingDB Entry DOI: 10.7270/Q2WQ02CP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM82548 (CAS_897-15-4 | Dothiepin | NSC_3155) Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4| Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP Ki Database									Eur J Pharmacol 340: 249-58 (1997) Article DOI: 10.1016/s0014-2999(97)01393-9 BindingDB Entry DOI: 10.7270/Q2V69H3D
					More data for this Ligand-Target Pair