BDBM334777 US9732075, Example 4.134::[(2S,3S)-2-(5-Chloro-4-methyl-1H-benzoimidazol-2-yl)-3-methyl-pyrrolidin-1-yl]-[2-(3-methoxy-phenylethynyl)-phenyl]-methanone

SMILES: COc1cccc(c1)C#Cc1ccccc1C(=O)N1CC[C@H](C)[C@H]1c1nc2c(C)c(Cl)ccc2[nH]1

InChI Key: InChIKey=QFDUIRFVMRTEFQ-MYUZEXMDSA-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 = 334777   

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))	BDBM334777 (US11040966, Example 4.134 | US9732075, Example 4.1...) Show SMILES COc1cccc(c1)C#Cc1ccccc1C(=O)N1CC[C@H](C)[C@H]1c1nc2c(C)c(Cl)ccc2[nH]1 Show InChI InChI=1S/C29H26ClN3O2/c1-18-15-16-33(27(18)28-31-25-14-13-24(30)19(2)26(25)32-28)29(34)23-10-5-4-8-21(23)12-11-20-7-6-9-22(17-20)35-3/h4-10,13-14,17-18,27H,15-16H2,1-3H3,(H,31,32)/t18-,27-/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))	BDBM334777 (US11040966, Example 4.134 | US9732075, Example 4.1...) Show SMILES COc1cccc(c1)C#Cc1ccccc1C(=O)N1CC[C@H](C)[C@H]1c1nc2c(C)c(Cl)ccc2[nH]1 Show InChI InChI=1S/C29H26ClN3O2/c1-18-15-16-33(27(18)28-31-25-14-13-24(30)19(2)26(25)32-28)29(34)23-10-5-4-8-21(23)12-11-20-7-6-9-22(17-20)35-3/h4-10,13-14,17-18,27H,15-16H2,1-3H3,(H,31,32)/t18-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	86	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))	BDBM334777 (US11040966, Example 4.134 | US9732075, Example 4.1...) Show SMILES COc1cccc(c1)C#Cc1ccccc1C(=O)N1CC[C@H](C)[C@H]1c1nc2c(C)c(Cl)ccc2[nH]1 Show InChI InChI=1S/C29H26ClN3O2/c1-18-15-16-33(27(18)28-31-25-14-13-24(30)19(2)26(25)32-28)29(34)23-10-5-4-8-21(23)12-11-20-7-6-9-22(17-20)35-3/h4-10,13-14,17-18,27H,15-16H2,1-3H3,(H,31,32)/t18-,27-/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))	BDBM334777 (US11040966, Example 4.134 | US9732075, Example 4.1...) Show SMILES COc1cccc(c1)C#Cc1ccccc1C(=O)N1CC[C@H](C)[C@H]1c1nc2c(C)c(Cl)ccc2[nH]1 Show InChI InChI=1S/C29H26ClN3O2/c1-18-15-16-33(27(18)28-31-25-14-13-24(30)19(2)26(25)32-28)29(34)23-10-5-4-8-21(23)12-11-20-7-6-9-22(17-20)35-3/h4-10,13-14,17-18,27H,15-16H2,1-3H3,(H,31,32)/t18-,27-/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	86	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