BDBM334588 US9732075, Example 3.12::[(2S,4R)-2-(6-Chloro-7-methyl-1H-benzoimidazol-2-yl)-4-methoxy-pyrrolidin-1-yl]-(5-methoxy-2-[1,2,3]triazol-2-yl-phenyl)-methanone

SMILES: CO[C@@H]1C[C@H](N(C1)C(=O)c1cc(OC)ccc1-n1nccn1)c1nc2ccc(Cl)c(C)c2[nH]1

InChI Key: InChIKey=GOVDVCACXWVVDU-QRWLVFNGSA-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 = 334588   

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))	BDBM334588 (US11040966, Example 3.12 | US9732075, Example 3.12...) Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1cc(OC)ccc1-n1nccn1)c1nc2ccc(Cl)c(C)c2[nH]1 Show InChI InChI=1S/C23H23ClN6O3/c1-13-17(24)5-6-18-21(13)28-22(27-18)20-11-15(33-3)12-29(20)23(31)16-10-14(32-2)4-7-19(16)30-25-8-9-26-30/h4-10,15,20H,11-12H2,1-3H3,(H,27,28)/t15-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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))	BDBM334588 (US11040966, Example 3.12 | US9732075, Example 3.12...) Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1cc(OC)ccc1-n1nccn1)c1nc2ccc(Cl)c(C)c2[nH]1 Show InChI InChI=1S/C23H23ClN6O3/c1-13-17(24)5-6-18-21(13)28-22(27-18)20-11-15(33-3)12-29(20)23(31)16-10-14(32-2)4-7-19(16)30-25-8-9-26-30/h4-10,15,20H,11-12H2,1-3H3,(H,27,28)/t15-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 1 (Homo sapiens (Human))	BDBM334588 (US11040966, Example 3.12 | US9732075, Example 3.12...) Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1cc(OC)ccc1-n1nccn1)c1nc2ccc(Cl)c(C)c2[nH]1 Show InChI InChI=1S/C23H23ClN6O3/c1-13-17(24)5-6-18-21(13)28-22(27-18)20-11-15(33-3)12-29(20)23(31)16-10-14(32-2)4-7-19(16)30-25-8-9-26-30/h4-10,15,20H,11-12H2,1-3H3,(H,27,28)/t15-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	13	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))	BDBM334588 (US11040966, Example 3.12 | US9732075, Example 3.12...) Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1cc(OC)ccc1-n1nccn1)c1nc2ccc(Cl)c(C)c2[nH]1 Show InChI InChI=1S/C23H23ClN6O3/c1-13-17(24)5-6-18-21(13)28-22(27-18)20-11-15(33-3)12-29(20)23(31)16-10-14(32-2)4-7-19(16)30-25-8-9-26-30/h4-10,15,20H,11-12H2,1-3H3,(H,27,28)/t15-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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