BDBM335172 US9732075, Example 6.131::[(S)-2-(6-Chloro-7-methyl-1H-benzoimidazol-2-yl)-4-methyl-ene-pyrrolidin-1-yl]-(5-methoxy-2-[1,2,3]triazol-2-yl-phenyl)-methanone

SMILES: COc1ccc(c(c1)C(=O)N1CC(=C)C[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1)-n1nccn1

InChI Key: InChIKey=IYMUFCLJMFWSHR-FQEVSTJZSA-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 = 335172   

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))	BDBM335172 (US11040966, Example 6.131 | US9732075, Example 6.1...) Show SMILES COc1ccc(c(c1)C(=O)N1CC(=C)C[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1)-n1nccn1 Show InChI InChI=1S/C23H21ClN6O2/c1-13-10-20(22-27-18-6-5-17(24)14(2)21(18)28-22)29(12-13)23(31)16-11-15(32-3)4-7-19(16)30-25-8-9-26-30/h4-9,11,20H,1,10,12H2,2-3H3,(H,27,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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))	BDBM335172 (US11040966, Example 6.131 | US9732075, Example 6.1...) Show SMILES COc1ccc(c(c1)C(=O)N1CC(=C)C[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1)-n1nccn1 Show InChI InChI=1S/C23H21ClN6O2/c1-13-10-20(22-27-18-6-5-17(24)14(2)21(18)28-22)29(12-13)23(31)16-11-15(32-3)4-7-19(16)30-25-8-9-26-30/h4-9,11,20H,1,10,12H2,2-3H3,(H,27,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.5	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))	BDBM335172 (US11040966, Example 6.131 | US9732075, Example 6.1...) Show SMILES COc1ccc(c(c1)C(=O)N1CC(=C)C[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1)-n1nccn1 Show InChI InChI=1S/C23H21ClN6O2/c1-13-10-20(22-27-18-6-5-17(24)14(2)21(18)28-22)29(12-13)23(31)16-11-15(32-3)4-7-19(16)30-25-8-9-26-30/h4-9,11,20H,1,10,12H2,2-3H3,(H,27,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9	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))	BDBM335172 (US11040966, Example 6.131 | US9732075, Example 6.1...) Show SMILES COc1ccc(c(c1)C(=O)N1CC(=C)C[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1)-n1nccn1 Show InChI InChI=1S/C23H21ClN6O2/c1-13-10-20(22-27-18-6-5-17(24)14(2)21(18)28-22)29(12-13)23(31)16-11-15(32-3)4-7-19(16)30-25-8-9-26-30/h4-9,11,20H,1,10,12H2,2-3H3,(H,27,28)/t20-/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	0.5	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