BDBM50526571 CHEMBL4467858

SMILES: CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccccc4[C@@]2(CCN3S(=O)(=O)c2ccccc2)C1)C(=O)\C=C\c1ccoc1

InChI Key: InChIKey=AQTPEZKBHVIXLA-ZDBAVTLFSA-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 = 50526571   

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
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50526571 (CHEMBL4467858) Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccccc4[C@@]2(CCN3S(=O)(=O)c2ccccc2)C1)C(=O)\C=C\c1ccoc1 |r,THB:19:18:9.14.8:5| Show InChI InChI=1S/C30H32N2O5S/c1-31(28(33)12-11-22-14-18-37-21-22)24-13-15-30(34)27-19-23-7-5-6-10-26(23)29(30,20-24)16-17-32(27)38(35,36)25-8-3-2-4-9-25/h2-12,14,18,21,24,27,34H,13,15-17,19-20H2,1H3/b12-11+/t24-,27+,29+,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Antagonist activity at human OX1 receptor expressed in CHOK1 cells assessed as inhibition of orexin-A-induced calcium mobilization preincubated for 1...				Bioorg Med Chem 27: 1747-1758 (2019) Article DOI: 10.1016/j.bmc.2019.03.010
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50526571 (CHEMBL4467858) Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccccc4[C@@]2(CCN3S(=O)(=O)c2ccccc2)C1)C(=O)\C=C\c1ccoc1 |r,THB:19:18:9.14.8:5| Show InChI InChI=1S/C30H32N2O5S/c1-31(28(33)12-11-22-14-18-37-21-22)24-13-15-30(34)27-19-23-7-5-6-10-26(23)29(30,20-24)16-17-32(27)38(35,36)25-8-3-2-4-9-25/h2-12,14,18,21,24,27,34H,13,15-17,19-20H2,1H3/b12-11+/t24-,27+,29+,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in CHOK1 cells assessed as inhibition of orexin-A-induced calcium mobilization preincubated for 1...				Bioorg Med Chem 27: 1747-1758 (2019) Article DOI: 10.1016/j.bmc.2019.03.010
					More data for this Ligand-Target Pair