BDBM50191636 CHEMBL386288::N-Cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxychroman-3-amine::rac-N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxychroman-3-amine

SMILES: COc1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1

InChI Key: InChIKey=JBNQPDCVQXSXPZ-UHFFFAOYSA-N

Data: 4 KI  3 IC50

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 = 50191636   

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))	BDBM50191636 (CHEMBL386288 | N-Cyclobutyl-N-[3-(5-fluoro-1H-indo...) Show SMILES COc1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 Show InChI InChI=1S/C25H29FN2O2/c1-29-24-8-3-9-25-22(24)14-20(16-30-25)28(19-6-2-7-19)12-4-5-17-15-27-23-11-10-18(26)13-21(17)23/h3,8-11,13,15,19-20,27H,2,4-7,12,14,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes				J Med Chem 49: 4785-9 (2006) Article DOI: 10.1021/jm060218h BindingDB Entry DOI: 10.7270/Q261114D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50191636 (CHEMBL386288 | N-Cyclobutyl-N-[3-(5-fluoro-1H-indo...) Show SMILES COc1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 Show InChI InChI=1S/C25H29FN2O2/c1-29-24-8-3-9-25-22(24)14-20(16-30-25)28(19-6-2-7-19)12-4-5-17-15-27-23-11-10-18(26)13-21(17)23/h3,8-11,13,15,19-20,27H,2,4-7,12,14,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane				J Med Chem 51: 6980-7004 (2008) Article DOI: 10.1021/jm8007097 BindingDB Entry DOI: 10.7270/Q2TT4RWM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50191636 (CHEMBL386288 | N-Cyclobutyl-N-[3-(5-fluoro-1H-indo...) Show SMILES COc1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 Show InChI InChI=1S/C25H29FN2O2/c1-29-24-8-3-9-25-22(24)14-20(16-30-25)28(19-6-2-7-19)12-4-5-17-15-27-23-11-10-18(26)13-21(17)23/h3,8-11,13,15,19-20,27H,2,4-7,12,14,16H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 49: 4785-9 (2006) Article DOI: 10.1021/jm060218h BindingDB Entry DOI: 10.7270/Q261114D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50191636 (CHEMBL386288 | N-Cyclobutyl-N-[3-(5-fluoro-1H-indo...) Show SMILES COc1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 Show InChI InChI=1S/C25H29FN2O2/c1-29-24-8-3-9-25-22(24)14-20(16-30-25)28(19-6-2-7-19)12-4-5-17-15-27-23-11-10-18(26)13-21(17)23/h3,8-11,13,15,19-20,27H,2,4-7,12,14,16H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells				J Med Chem 51: 6980-7004 (2008) Article DOI: 10.1021/jm8007097 BindingDB Entry DOI: 10.7270/Q2TT4RWM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50191636 (CHEMBL386288 | N-Cyclobutyl-N-[3-(5-fluoro-1H-indo...) Show SMILES COc1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 Show InChI InChI=1S/C25H29FN2O2/c1-29-24-8-3-9-25-22(24)14-20(16-30-25)28(19-6-2-7-19)12-4-5-17-15-27-23-11-10-18(26)13-21(17)23/h3,8-11,13,15,19-20,27H,2,4-7,12,14,16H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of 5-HT transporter-mediated [3H]5HT uptake in human Jar cells				J Med Chem 51: 6980-7004 (2008) Article DOI: 10.1021/jm8007097 BindingDB Entry DOI: 10.7270/Q2TT4RWM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50191636 (CHEMBL386288 | N-Cyclobutyl-N-[3-(5-fluoro-1H-indo...) Show SMILES COc1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 Show InChI InChI=1S/C25H29FN2O2/c1-29-24-8-3-9-25-22(24)14-20(16-30-25)28(19-6-2-7-19)12-4-5-17-15-27-23-11-10-18(26)13-21(17)23/h3,8-11,13,15,19-20,27H,2,4-7,12,14,16H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake at human 5-HT transporter expressed in Jar cells				J Med Chem 49: 4785-9 (2006) Article DOI: 10.1021/jm060218h BindingDB Entry DOI: 10.7270/Q261114D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50191636 (CHEMBL386288 | N-Cyclobutyl-N-[3-(5-fluoro-1H-indo...) Show SMILES COc1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 Show InChI InChI=1S/C25H29FN2O2/c1-29-24-8-3-9-25-22(24)14-20(16-30-25)28(19-6-2-7-19)12-4-5-17-15-27-23-11-10-18(26)13-21(17)23/h3,8-11,13,15,19-20,27H,2,4-7,12,14,16H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human cloned 5HT1A receptor expressed in CHO cells assessed as blockade of 5-HT-stimulated [35S]GTPgammaS binding				J Med Chem 51: 6980-7004 (2008) Article DOI: 10.1021/jm8007097 BindingDB Entry DOI: 10.7270/Q2TT4RWM
					More data for this Ligand-Target Pair