BDBM50167070 CHEMBL3799986

SMILES: CCCN[C@@H]1CCC2N=C(N)SC2C1

InChI Key: InChIKey=FBDPRQPQWAADRA-AFPNSQJFSA-N

Data: 2 KI

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 = 50167070   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50167070 (CHEMBL3799986) Show SMILES CCCN[C@@H]1CCC2N=C(N)SC2C1 |r,t:8| Show InChI InChI=1S/C10H19N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7-9,12H,2-6H2,1H3,(H2,11,13)/t7-,8?,9?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167070 (CHEMBL3799986) Show SMILES CCCN[C@@H]1CCC2N=C(N)SC2C1 |r,t:8| Show InChI InChI=1S/C10H19N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7-9,12H,2-6H2,1H3,(H2,11,13)/t7-,8?,9?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair