BDBM335358 US9732075, Example 7.22::[(S)-2-(5-Chloro-1,4-dimethyl-1H-benzoimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-(5-chloro-2-[1,2,3]triazol-2-yl-phenyl)-methanone and/or [(S)-2-(3-Chloro-1,2-dimethyl-1H-benzoimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-(5-chloro-2-[1,2,3]triazol-2-yl-phenyl)-methanone (mixtures of isomers)

SMILES: Cc1c(Cl)ccc2n(C)c(nc12)[C@]1(C)CCCN1C(=O)c1cc(Cl)ccc1-n1nccn1

InChI Key: InChIKey=PYTQJNRFZSSECU-QHCPKHFHSA-N

Data: 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 = 335358   

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))	BDBM335358 (US11040966, Example 7.22 | US9732075, Example 7.22...) Show SMILES Cc1c(Cl)ccc2n(C)c(nc12)[C@]1(C)CCCN1C(=O)c1cc(Cl)ccc1-n1nccn1 Show InChI InChI=1S/C23H22Cl2N6O/c1-14-17(25)6-8-19-20(14)28-22(29(19)3)23(2)9-4-12-30(23)21(32)16-13-15(24)5-7-18(16)31-26-10-11-27-31/h5-8,10-11,13H,4,9,12H2,1-3H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
IDORSIA PHARMACEUTICALS LTD US Patent					Assay Description Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...				US Patent US9732075 (2017) BindingDB Entry DOI: 10.7270/Q29P33S0
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM335358 (US11040966, Example 7.22 | US9732075, Example 7.22...) Show SMILES Cc1c(Cl)ccc2n(C)c(nc12)[C@]1(C)CCCN1C(=O)c1cc(Cl)ccc1-n1nccn1 Show InChI InChI=1S/C23H22Cl2N6O/c1-14-17(25)6-8-19-20(14)28-22(29(19)3)23(2)9-4-12-30(23)21(32)16-13-15(24)5-7-18(16)31-26-10-11-27-31/h5-8,10-11,13H,4,9,12H2,1-3H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM335358 (US11040966, Example 7.22 | US9732075, Example 7.22...) Show SMILES Cc1c(Cl)ccc2n(C)c(nc12)[C@]1(C)CCCN1C(=O)c1cc(Cl)ccc1-n1nccn1 Show InChI InChI=1S/C23H22Cl2N6O/c1-14-17(25)6-8-19-20(14)28-22(29(19)3)23(2)9-4-12-30(23)21(32)16-13-15(24)5-7-18(16)31-26-10-11-27-31/h5-8,10-11,13H,4,9,12H2,1-3H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM335358 (US11040966, Example 7.22 | US9732075, Example 7.22...) Show SMILES Cc1c(Cl)ccc2n(C)c(nc12)[C@]1(C)CCCN1C(=O)c1cc(Cl)ccc1-n1nccn1 Show InChI InChI=1S/C23H22Cl2N6O/c1-14-17(25)6-8-19-20(14)28-22(29(19)3)23(2)9-4-12-30(23)21(32)16-13-15(24)5-7-18(16)31-26-10-11-27-31/h5-8,10-11,13H,4,9,12H2,1-3H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
IDORSIA PHARMACEUTICALS LTD US Patent					Assay Description Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...				US Patent US9732075 (2017) BindingDB Entry DOI: 10.7270/Q29P33S0
					More data for this Ligand-Target Pair