BDBM50003915 CHEMBL3235744

SMILES: CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1

InChI Key: InChIKey=VXKCYKXMVUMKKQ-DEOSSOPVSA-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 = 50003915   

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 (Homo sapiens (Human))	BDBM50003915 (CHEMBL3235744) Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r| Show InChI InChI=1S/C27H36N4O2S/c1-34-25-12-7-6-11-23(25)30-17-15-29(16-18-30)14-8-2-3-13-26(32)31-20-22-10-5-4-9-21(22)19-24(31)27(28)33/h4-7,9-12,24H,2-3,8,13-20H2,1H3,(H2,28,33)/t24-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting				Eur J Med Chem 78: 10-22 (2014) Article DOI: 10.1016/j.ejmech.2014.03.005 BindingDB Entry DOI: 10.7270/Q2QN6899
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50003915 (CHEMBL3235744) Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r| Show InChI InChI=1S/C27H36N4O2S/c1-34-25-12-7-6-11-23(25)30-17-15-29(16-18-30)14-8-2-3-13-26(32)31-20-22-10-5-4-9-21(22)19-24(31)27(28)33/h4-7,9-12,24H,2-3,8,13-20H2,1H3,(H2,28,33)/t24-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 92: 202-11 (2015) Article DOI: 10.1016/j.ejmech.2014.12.041 BindingDB Entry DOI: 10.7270/Q2TT4SNW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50003915 (CHEMBL3235744) Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r| Show InChI InChI=1S/C27H36N4O2S/c1-34-25-12-7-6-11-23(25)30-17-15-29(16-18-30)14-8-2-3-13-26(32)31-20-22-10-5-4-9-21(22)19-24(31)27(28)33/h4-7,9-12,24H,2-3,8,13-20H2,1H3,(H2,28,33)/t24-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Agonist activity at human 5HT1A receptor expressed in HEK293 cells assessed as cAMP concentration at 10'-6 M by adenylate cyclase activity based HTRF...				Eur J Med Chem 92: 202-11 (2015) Article DOI: 10.1016/j.ejmech.2014.12.041 BindingDB Entry DOI: 10.7270/Q2TT4SNW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50003915 (CHEMBL3235744) Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r| Show InChI InChI=1S/C27H36N4O2S/c1-34-25-12-7-6-11-23(25)30-17-15-29(16-18-30)14-8-2-3-13-26(32)31-20-22-10-5-4-9-21(22)19-24(31)27(28)33/h4-7,9-12,24H,2-3,8,13-20H2,1H3,(H2,28,33)/t24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by beta-counting				Eur J Med Chem 78: 10-22 (2014) Article DOI: 10.1016/j.ejmech.2014.03.005 BindingDB Entry DOI: 10.7270/Q2QN6899
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50003915 (CHEMBL3235744) Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r| Show InChI InChI=1S/C27H36N4O2S/c1-34-25-12-7-6-11-23(25)30-17-15-29(16-18-30)14-8-2-3-13-26(32)31-20-22-10-5-4-9-21(22)19-24(31)27(28)33/h4-7,9-12,24H,2-3,8,13-20H2,1H3,(H2,28,33)/t24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 92: 202-11 (2015) Article DOI: 10.1016/j.ejmech.2014.12.041 BindingDB Entry DOI: 10.7270/Q2TT4SNW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50003915 (CHEMBL3235744) Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r| Show InChI InChI=1S/C27H36N4O2S/c1-34-25-12-7-6-11-23(25)30-17-15-29(16-18-30)14-8-2-3-13-26(32)31-20-22-10-5-4-9-21(22)19-24(31)27(28)33/h4-7,9-12,24H,2-3,8,13-20H2,1H3,(H2,28,33)/t24-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human 5HT1A receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP concentration at 10'-6 M by ad...				Eur J Med Chem 92: 202-11 (2015) Article DOI: 10.1016/j.ejmech.2014.12.041 BindingDB Entry DOI: 10.7270/Q2TT4SNW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50003915 (CHEMBL3235744) Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r| Show InChI InChI=1S/C27H36N4O2S/c1-34-25-12-7-6-11-23(25)30-17-15-29(16-18-30)14-8-2-3-13-26(32)31-20-22-10-5-4-9-21(22)19-24(31)27(28)33/h4-7,9-12,24H,2-3,8,13-20H2,1H3,(H2,28,33)/t24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 92: 202-11 (2015) Article DOI: 10.1016/j.ejmech.2014.12.041 BindingDB Entry DOI: 10.7270/Q2TT4SNW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50003915 (CHEMBL3235744) Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r| Show InChI InChI=1S/C27H36N4O2S/c1-34-25-12-7-6-11-23(25)30-17-15-29(16-18-30)14-8-2-3-13-26(32)31-20-22-10-5-4-9-21(22)19-24(31)27(28)33/h4-7,9-12,24H,2-3,8,13-20H2,1H3,(H2,28,33)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5HT2A receptor expressed in HEK293 cells after 1 hrs				Eur J Med Chem 92: 202-11 (2015) Article DOI: 10.1016/j.ejmech.2014.12.041 BindingDB Entry DOI: 10.7270/Q2TT4SNW
					More data for this Ligand-Target Pair