BDBM334610 US9732075, Example 3.32::[(2S,4R)-2-(6-Chloro-7-methyl-1H-benzoimidazol-2-yl)-4-methoxy-pyrrolidin-1-yl]-(2-methyl-5-m-tolyl-thiazol-4-yl)-methanone

SMILES: CO[C@@H]1C[C@H](N(C1)C(=O)c1nc(C)sc1-c1cccc(C)c1)c1nc2ccc(Cl)c(C)c2[nH]1

InChI Key: InChIKey=BIYHTTUWIYFGHN-XLIONFOSSA-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 = 334610   

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))	BDBM334610 (US11040966, Example 3.32 | US9732075, Example 3.32...) Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1nc(C)sc1-c1cccc(C)c1)c1nc2ccc(Cl)c(C)c2[nH]1 Show InChI InChI=1S/C25H25ClN4O2S/c1-13-6-5-7-16(10-13)23-22(27-15(3)33-23)25(31)30-12-17(32-4)11-20(30)24-28-19-9-8-18(26)14(2)21(19)29-24/h5-10,17,20H,11-12H2,1-4H3,(H,28,29)/t17-,20+/m1/s1	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	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))	BDBM334610 (US11040966, Example 3.32 | US9732075, Example 3.32...) Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1nc(C)sc1-c1cccc(C)c1)c1nc2ccc(Cl)c(C)c2[nH]1 Show InChI InChI=1S/C25H25ClN4O2S/c1-13-6-5-7-16(10-13)23-22(27-15(3)33-23)25(31)30-12-17(32-4)11-20(30)24-28-19-9-8-18(26)14(2)21(19)29-24/h5-10,17,20H,11-12H2,1-4H3,(H,28,29)/t17-,20+/m1/s1	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	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))	BDBM334610 (US11040966, Example 3.32 | US9732075, Example 3.32...) Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1nc(C)sc1-c1cccc(C)c1)c1nc2ccc(Cl)c(C)c2[nH]1 Show InChI InChI=1S/C25H25ClN4O2S/c1-13-6-5-7-16(10-13)23-22(27-15(3)33-23)25(31)30-12-17(32-4)11-20(30)24-28-19-9-8-18(26)14(2)21(19)29-24/h5-10,17,20H,11-12H2,1-4H3,(H,28,29)/t17-,20+/m1/s1	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.900	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))	BDBM334610 (US11040966, Example 3.32 | US9732075, Example 3.32...) Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1nc(C)sc1-c1cccc(C)c1)c1nc2ccc(Cl)c(C)c2[nH]1 Show InChI InChI=1S/C25H25ClN4O2S/c1-13-6-5-7-16(10-13)23-22(27-15(3)33-23)25(31)30-12-17(32-4)11-20(30)24-28-19-9-8-18(26)14(2)21(19)29-24/h5-10,17,20H,11-12H2,1-4H3,(H,28,29)/t17-,20+/m1/s1	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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