BDBM50295057 2-((3R)-3-Methyl-4-{[(2S)-8-methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl}pipera-zin-1-yl)quinoline-6-carbonitrile::CHEMBL560170

SMILES: C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2cc(ccc2n1)C#N

InChI Key: InChIKey=SCHNMRACMXDCIP-KNQAVFIVSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50295057   

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))	BDBM50295057 (2-((3R)-3-Methyl-4-{[(2S)-8-methyl-2,3-dihydro[1,4...) Show SMILES C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2cc(ccc2n1)C#N |r| Show InChI InChI=1S/C28H27N5O2/c1-18-3-6-23-25(30-18)8-9-26-28(23)35-22(17-34-26)16-32-11-12-33(15-19(32)2)27-10-5-21-13-20(14-29)4-7-24(21)31-27/h3-10,13,19,22H,11-12,15-17H2,1-2H3/t19-,22+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	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 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50295057 (2-((3R)-3-Methyl-4-{[(2S)-8-methyl-2,3-dihydro[1,4...) Show SMILES C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2cc(ccc2n1)C#N |r| Show InChI InChI=1S/C28H27N5O2/c1-18-3-6-23-25(30-18)8-9-26-28(23)35-22(17-34-26)16-32-11-12-33(15-19(32)2)27-10-5-21-13-20(14-29)4-7-24(21)31-27/h3-10,13,19,22H,11-12,15-17H2,1-2H3/t19-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89.6	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]paroxetine from 5HT transporter in rat cortical membrane				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50295057 (2-((3R)-3-Methyl-4-{[(2S)-8-methyl-2,3-dihydro[1,4...) Show SMILES C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2cc(ccc2n1)C#N |r| Show InChI InChI=1S/C28H27N5O2/c1-18-3-6-23-25(30-18)8-9-26-28(23)35-22(17-34-26)16-32-11-12-33(15-19(32)2)27-10-5-21-13-20(14-29)4-7-24(21)31-27/h3-10,13,19,22H,11-12,15-17H2,1-2H3/t19-,22+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Antagonist activity at human 5HT1A receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 52: 4955-9 (2009) Article DOI: 10.1021/jm900374r BindingDB Entry DOI: 10.7270/Q2CZ376D
					More data for this Ligand-Target Pair