BDBM335277 US9732075, Example 6.49::[5-(3,4-Dimethyl-phenyl)-2-methyl-thiazol-4-yl]-[(S)-4-methylene-2-(4-methylsulfanyl-1H-benzoimidazol-2-yl)-pyrrolidin-1-yl]-methanone

SMILES: CSc1cccc2[nH]c(nc12)[C@@H]1CC(=C)CN1C(=O)c1nc(C)sc1-c1ccc(C)c(C)c1

InChI Key: InChIKey=LNVMEGYQWMZUBX-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 = 335277   

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))	BDBM335277 (US11040966, Example 6.49 | US9732075, Example 6.49...) Show SMILES CSc1cccc2[nH]c(nc12)[C@@H]1CC(=C)CN1C(=O)c1nc(C)sc1-c1ccc(C)c(C)c1 Show InChI InChI=1S/C26H26N4OS2/c1-14-11-20(25-28-19-7-6-8-21(32-5)22(19)29-25)30(13-14)26(31)23-24(33-17(4)27-23)18-10-9-15(2)16(3)12-18/h6-10,12,20H,1,11,13H2,2-5H3,(H,28,29)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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))	BDBM335277 (US11040966, Example 6.49 | US9732075, Example 6.49...) Show SMILES CSc1cccc2[nH]c(nc12)[C@@H]1CC(=C)CN1C(=O)c1nc(C)sc1-c1ccc(C)c(C)c1 Show InChI InChI=1S/C26H26N4OS2/c1-14-11-20(25-28-19-7-6-8-21(32-5)22(19)29-25)30(13-14)26(31)23-24(33-17(4)27-23)18-10-9-15(2)16(3)12-18/h6-10,12,20H,1,11,13H2,2-5H3,(H,28,29)/t20-/m0/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))	BDBM335277 (US11040966, Example 6.49 | US9732075, Example 6.49...) Show SMILES CSc1cccc2[nH]c(nc12)[C@@H]1CC(=C)CN1C(=O)c1nc(C)sc1-c1ccc(C)c(C)c1 Show InChI InChI=1S/C26H26N4OS2/c1-14-11-20(25-28-19-7-6-8-21(32-5)22(19)29-25)30(13-14)26(31)23-24(33-17(4)27-23)18-10-9-15(2)16(3)12-18/h6-10,12,20H,1,11,13H2,2-5H3,(H,28,29)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	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))	BDBM335277 (US11040966, Example 6.49 | US9732075, Example 6.49...) Show SMILES CSc1cccc2[nH]c(nc12)[C@@H]1CC(=C)CN1C(=O)c1nc(C)sc1-c1ccc(C)c(C)c1 Show InChI InChI=1S/C26H26N4OS2/c1-14-11-20(25-28-19-7-6-8-21(32-5)22(19)29-25)30(13-14)26(31)23-24(33-17(4)27-23)18-10-9-15(2)16(3)12-18/h6-10,12,20H,1,11,13H2,2-5H3,(H,28,29)/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	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