BDBM50084389 CHEMBL3426130

SMILES: C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1ccc(C)cn1

InChI Key: InChIKey=XVUMOUNNIKYABN-IAGOWNOFSA-N

Data: 2 KI  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 4 hits for monomerid = 50084389   

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 2 (Homo sapiens (Human))	BDBM50084389 (CHEMBL3426130) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1ccc(C)cn1 |r| Show InChI InChI=1S/C21H23N5O2/c1-15-7-10-20(22-13-15)28-17-9-8-16(2)25(14-17)21(27)18-5-3-4-6-19(18)26-23-11-12-24-26/h3-7,10-13,16-17H,8-9,14H2,1-2H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-(S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...				Bioorg Med Chem Lett 25: 2488-92 (2015) Article DOI: 10.1016/j.bmcl.2015.04.066 BindingDB Entry DOI: 10.7270/Q28S4RN5
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50084389 (CHEMBL3426130) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1ccc(C)cn1 |r| Show InChI InChI=1S/C21H23N5O2/c1-15-7-10-20(22-13-15)28-17-9-8-16(2)25(14-17)21(27)18-5-3-4-6-19(18)26-23-11-12-24-26/h3-7,10-13,16-17H,8-9,14H2,1-2H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-(S)-N-(biphenyl-2-yl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX1R expressed in ...				Bioorg Med Chem Lett 25: 2488-92 (2015) Article DOI: 10.1016/j.bmcl.2015.04.066 BindingDB Entry DOI: 10.7270/Q28S4RN5
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50084389 (CHEMBL3426130) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1ccc(C)cn1 |r| Show InChI InChI=1S/C21H23N5O2/c1-15-7-10-20(22-13-15)28-17-9-8-16(2)25(14-17)21(27)18-5-3-4-6-19(18)26-23-11-12-24-26/h3-7,10-13,16-17H,8-9,14H2,1-2H3/t16-,17-/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intercellular Ca2+ mobilization by FLIPR a...				Bioorg Med Chem Lett 25: 2488-92 (2015) Article DOI: 10.1016/j.bmcl.2015.04.066 BindingDB Entry DOI: 10.7270/Q28S4RN5
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50084389 (CHEMBL3426130) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1ccc(C)cn1 |r| Show InChI InChI=1S/C21H23N5O2/c1-15-7-10-20(22-13-15)28-17-9-8-16(2)25(14-17)21(27)18-5-3-4-6-19(18)26-23-11-12-24-26/h3-7,10-13,16-17H,8-9,14H2,1-2H3/t16-,17-/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	142	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intercellular Ca2+ mobilization by FLIPR a...				Bioorg Med Chem Lett 25: 2488-92 (2015) Article DOI: 10.1016/j.bmcl.2015.04.066 BindingDB Entry DOI: 10.7270/Q28S4RN5
					More data for this Ligand-Target Pair