BDBM50368757 CHEMBL4169829

SMILES: Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1

InChI Key: InChIKey=JNBXGMXTKZTGOZ-ZASBGXDBSA-N

Data: 1 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 2 hits for monomerid = 50368757   

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
Glycine transporter 1 (Homo sapiens (Human))	BDBM50368757 (CHEMBL4169829) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r| Show InChI InChI=1S/C38H49N7O14/c1-19(32(52)43-27(18-30(50)51)35(55)44-28(38(58)59)16-24-13-9-6-10-14-24)39-34(54)26(17-29(48)49)42-33(53)20(2)40-37(57)31(21(3)46)45-36(56)25(41-22(4)47)15-23-11-7-5-8-12-23/h5-14,19-21,25-28,31,46H,15-18H2,1-4H3,(H,39,54)(H,40,57)(H,41,47)(H,42,53)(H,43,52)(H,44,55)(H,45,56)(H,48,49)(H,50,51)(H,58,59)/t19-,20-,21-,25-,26-,27-,28-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50368757 (CHEMBL4169829) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r| Show InChI InChI=1S/C38H49N7O14/c1-19(32(52)43-27(18-30(50)51)35(55)44-28(38(58)59)16-24-13-9-6-10-14-24)39-34(54)26(17-29(48)49)42-33(53)20(2)40-37(57)31(21(3)46)45-36(56)25(41-22(4)47)15-23-11-7-5-8-12-23/h5-14,19-21,25-28,31,46H,15-18H2,1-4H3,(H,39,54)(H,40,57)(H,41,47)(H,42,53)(H,43,52)(H,44,55)(H,45,56)(H,48,49)(H,50,51)(H,58,59)/t19-,20-,21-,25-,26-,27-,28-,31-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair