BDBM50455552 CHEMBL2115112

SMILES: CN(Cc1ccccc1C(F)(F)F)[C@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@H]1F

InChI Key: InChIKey=UFYHSHPKWNIZHL-RSXGOPAZSA-N

Data: 2 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 2 hits for monomerid = 50455552   

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 1D (Homo sapiens (Human))	BDBM50455552 (CHEMBL2115112) Show SMILES CN(Cc1ccccc1C(F)(F)F)[C@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@H]1F |r| Show InChI InChI=1S/C27H30F4N6/c1-35(15-20-5-2-3-7-23(20)27(29,30)31)26-10-12-36(16-24(26)28)11-4-6-19-14-32-25-9-8-21(13-22(19)25)37-17-33-34-18-37/h2-3,5,7-9,13-14,17-18,24,26,32H,4,6,10-12,15-16H2,1H3/t24-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of specific [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor expressed in CHO cells				J Med Chem 42: 2087-104 (1999) Article DOI: 10.1021/jm981133m BindingDB Entry DOI: 10.7270/Q2765DHF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50455552 (CHEMBL2115112) Show SMILES CN(Cc1ccccc1C(F)(F)F)[C@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@H]1F |r| Show InChI InChI=1S/C27H30F4N6/c1-35(15-20-5-2-3-7-23(20)27(29,30)31)26-10-12-36(16-24(26)28)11-4-6-19-14-32-25-9-8-21(13-22(19)25)37-17-33-34-18-37/h2-3,5,7-9,13-14,17-18,24,26,32H,4,6,10-12,15-16H2,1H3/t24-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of specific [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1B receptor expressed in CHO cells				J Med Chem 42: 2087-104 (1999) Article DOI: 10.1021/jm981133m BindingDB Entry DOI: 10.7270/Q2765DHF
					More data for this Ligand-Target Pair