BDBM50476740 CHEMBL396062

SMILES: CNc1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ncc1Cl

InChI Key: InChIKey=PCNIAOHOGYUOIN-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 50476740   

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 (Rattus norvegicus (rat))	BDBM50476740 (CHEMBL396062) Show SMILES CNc1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ncc1Cl Show InChI InChI=1S/C19H21Cl2F2N5O/c1-24-17-14(21)9-26-16(27-17)10-25-11-19(23)4-6-28(7-5-19)18(29)12-2-3-15(22)13(20)8-12/h2-3,8-9,25H,4-7,10-11H2,1H3,(H,24,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.741	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Binding affinity to 5HT1A receptor in rat cortex membrane				J Med Chem 50: 5024-33 (2007) Article DOI: 10.1021/jm070714l BindingDB Entry DOI: 10.7270/Q2HH6NTB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50476740 (CHEMBL396062) Show SMILES CNc1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ncc1Cl Show InChI InChI=1S/C19H21Cl2F2N5O/c1-24-17-14(21)9-26-16(27-17)10-25-11-19(23)4-6-28(7-5-19)18(29)12-2-3-15(22)13(20)8-12/h2-3,8-9,25H,4-7,10-11H2,1H3,(H,24,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 50: 5024-33 (2007) Article DOI: 10.1021/jm070714l BindingDB Entry DOI: 10.7270/Q2HH6NTB
					More data for this Ligand-Target Pair