BDBM50274414 (+)-3-{(Cyclopropylmethyl)[3-(5-fluoro-1H-indol-3-yl)-1-methylpropyl]amino}-8-fluorochromane-5-carboxamide::(-)-3-{(Cyclopropylmethyl)[3-(5-fluoro-1H-indol-3-yl)-1-methylpropyl]amino}-8-fluorochromane-5-carboxamide::CHEMBL483370

SMILES: CC(CCc1c[nH]c2ccc(F)cc12)N(CC1CC1)C1COc2c(F)ccc(C(N)=O)c2C1

InChI Key: InChIKey=RTLBWSTYHWYGOI-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 = 50274414   

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))	BDBM50274414 ((+)-3-{(Cyclopropylmethyl)[3-(5-fluoro-1H-indol-3-...) Show SMILES CC(CCc1c[nH]c2ccc(F)cc12)N(CC1CC1)C1COc2c(F)ccc(C(N)=O)c2C1 Show InChI InChI=1S/C26H29F2N3O2/c1-15(2-5-17-12-30-24-9-6-18(27)10-21(17)24)31(13-16-3-4-16)19-11-22-20(26(29)32)7-8-23(28)25(22)33-14-19/h6-10,12,15-16,19,30H,2-5,11,13-14H2,1H3,(H2,29,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.88	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 (Rattus norvegicus (rat))	BDBM50274414 ((+)-3-{(Cyclopropylmethyl)[3-(5-fluoro-1H-indol-3-...) Show SMILES CC(CCc1c[nH]c2ccc(F)cc12)N(CC1CC1)C1COc2c(F)ccc(C(N)=O)c2C1 Show InChI InChI=1S/C26H29F2N3O2/c1-15(2-5-17-12-30-24-9-6-18(27)10-21(17)24)31(13-16-3-4-16)19-11-22-20(26(29)32)7-8-23(28)25(22)33-14-19/h6-10,12,15-16,19,30H,2-5,11,13-14H2,1H3,(H2,29,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.2	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))	BDBM50274414 ((+)-3-{(Cyclopropylmethyl)[3-(5-fluoro-1H-indol-3-...) Show SMILES CC(CCc1c[nH]c2ccc(F)cc12)N(CC1CC1)C1COc2c(F)ccc(C(N)=O)c2C1 Show InChI InChI=1S/C26H29F2N3O2/c1-15(2-5-17-12-30-24-9-6-18(27)10-21(17)24)31(13-16-3-4-16)19-11-22-20(26(29)32)7-8-23(28)25(22)33-14-19/h6-10,12,15-16,19,30H,2-5,11,13-14H2,1H3,(H2,29,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	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 (Rattus norvegicus (rat))	BDBM50274414 ((+)-3-{(Cyclopropylmethyl)[3-(5-fluoro-1H-indol-3-...) Show SMILES CC(CCc1c[nH]c2ccc(F)cc12)N(CC1CC1)C1COc2c(F)ccc(C(N)=O)c2C1 Show InChI InChI=1S/C26H29F2N3O2/c1-15(2-5-17-12-30-24-9-6-18(27)10-21(17)24)31(13-16-3-4-16)19-11-22-20(26(29)32)7-8-23(28)25(22)33-14-19/h6-10,12,15-16,19,30H,2-5,11,13-14H2,1H3,(H2,29,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46.7	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50274414 ((+)-3-{(Cyclopropylmethyl)[3-(5-fluoro-1H-indol-3-...) Show SMILES CC(CCc1c[nH]c2ccc(F)cc12)N(CC1CC1)C1COc2c(F)ccc(C(N)=O)c2C1 Show InChI InChI=1S/C26H29F2N3O2/c1-15(2-5-17-12-30-24-9-6-18(27)10-21(17)24)31(13-16-3-4-16)19-11-22-20(26(29)32)7-8-23(28)25(22)33-14-19/h6-10,12,15-16,19,30H,2-5,11,13-14H2,1H3,(H2,29,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	162	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50274414 ((+)-3-{(Cyclopropylmethyl)[3-(5-fluoro-1H-indol-3-...) Show SMILES CC(CCc1c[nH]c2ccc(F)cc12)N(CC1CC1)C1COc2c(F)ccc(C(N)=O)c2C1 Show InChI InChI=1S/C26H29F2N3O2/c1-15(2-5-17-12-30-24-9-6-18(27)10-21(17)24)31(13-16-3-4-16)19-11-22-20(26(29)32)7-8-23(28)25(22)33-14-19/h6-10,12,15-16,19,30H,2-5,11,13-14H2,1H3,(H2,29,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	333	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50274414 ((+)-3-{(Cyclopropylmethyl)[3-(5-fluoro-1H-indol-3-...) Show SMILES CC(CCc1c[nH]c2ccc(F)cc12)N(CC1CC1)C1COc2c(F)ccc(C(N)=O)c2C1 Show InChI InChI=1S/C26H29F2N3O2/c1-15(2-5-17-12-30-24-9-6-18(27)10-21(17)24)31(13-16-3-4-16)19-11-22-20(26(29)32)7-8-23(28)25(22)33-14-19/h6-10,12,15-16,19,30H,2-5,11,13-14H2,1H3,(H2,29,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	193	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