BDBM81980 Butanserin::CAS_87051-46-5::NSC_65652

SMILES: Fc1ccc(cc1)C(=O)C1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1

InChI Key: InChIKey=MLDQSYUQSLUEPG-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 81980   

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
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM81980 (Butanserin | CAS_87051-46-5 | NSC_65652) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C24H26FN3O3/c25-19-9-7-17(8-10-19)22(29)18-11-15-27(16-12-18)13-3-4-14-28-23(30)20-5-1-2-6-21(20)26-24(28)31/h1-2,5-10,18H,3-4,11-16H2,(H,26,31)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica Curated by PDSP Ki Database									Eur J Pharmacol 129: 49-55 (1986) Article DOI: 10.1016/0014-2999(86)90335-3 BindingDB Entry DOI: 10.7270/Q27S7M8D
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM81980 (Butanserin | CAS_87051-46-5 | NSC_65652) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C24H26FN3O3/c25-19-9-7-17(8-10-19)22(29)18-11-15-27(16-12-18)13-3-4-14-28-23(30)20-5-1-2-6-21(20)26-24(28)31/h1-2,5-10,18H,3-4,11-16H2,(H,26,31)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Oregon Health Sciences University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 83: 8784-8 (1986) Article DOI: 10.1073/pnas.83.22.8784 BindingDB Entry DOI: 10.7270/Q2V122XD
					More data for this Ligand-Target Pair
adrenergic Alpha2 (RAT)	BDBM81980 (Butanserin | CAS_87051-46-5 | NSC_65652) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C24H26FN3O3/c25-19-9-7-17(8-10-19)22(29)18-11-15-27(16-12-18)13-3-4-14-28-23(30)20-5-1-2-6-21(20)26-24(28)31/h1-2,5-10,18H,3-4,11-16H2,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica Curated by PDSP Ki Database									Eur J Pharmacol 129: 49-55 (1986) Article DOI: 10.1016/0014-2999(86)90335-3 BindingDB Entry DOI: 10.7270/Q27S7M8D
					More data for this Ligand-Target Pair
adrenergic Alpha2 (RAT)	BDBM81980 (Butanserin | CAS_87051-46-5 | NSC_65652) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C24H26FN3O3/c25-19-9-7-17(8-10-19)22(29)18-11-15-27(16-12-18)13-3-4-14-28-23(30)20-5-1-2-6-21(20)26-24(28)31/h1-2,5-10,18H,3-4,11-16H2,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica Curated by PDSP Ki Database									Eur J Pharmacol 129: 49-55 (1986) Article DOI: 10.1016/0014-2999(86)90335-3 BindingDB Entry DOI: 10.7270/Q27S7M8D
					More data for this Ligand-Target Pair
adrenergic Alpha2 (RAT)	BDBM81980 (Butanserin | CAS_87051-46-5 | NSC_65652) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C24H26FN3O3/c25-19-9-7-17(8-10-19)22(29)18-11-15-27(16-12-18)13-3-4-14-28-23(30)20-5-1-2-6-21(20)26-24(28)31/h1-2,5-10,18H,3-4,11-16H2,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	75.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Oregon Health Sciences University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 83: 8784-8 (1986) Article DOI: 10.1073/pnas.83.22.8784 BindingDB Entry DOI: 10.7270/Q2V122XD
					More data for this Ligand-Target Pair
adrenergic Alpha2 (RAT)	BDBM81980 (Butanserin | CAS_87051-46-5 | NSC_65652) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C24H26FN3O3/c25-19-9-7-17(8-10-19)22(29)18-11-15-27(16-12-18)13-3-4-14-28-23(30)20-5-1-2-6-21(20)26-24(28)31/h1-2,5-10,18H,3-4,11-16H2,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica Curated by PDSP Ki Database									Eur J Pharmacol 129: 49-55 (1986) Article DOI: 10.1016/0014-2999(86)90335-3 BindingDB Entry DOI: 10.7270/Q27S7M8D
					More data for this Ligand-Target Pair
adrenergic Alpha2 (RAT)	BDBM81980 (Butanserin | CAS_87051-46-5 | NSC_65652) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C24H26FN3O3/c25-19-9-7-17(8-10-19)22(29)18-11-15-27(16-12-18)13-3-4-14-28-23(30)20-5-1-2-6-21(20)26-24(28)31/h1-2,5-10,18H,3-4,11-16H2,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica Curated by PDSP Ki Database									Eur J Pharmacol 129: 49-55 (1986) Article DOI: 10.1016/0014-2999(86)90335-3 BindingDB Entry DOI: 10.7270/Q27S7M8D
					More data for this Ligand-Target Pair