BDBM335287 US9732075, Example 6.58::[(S)-2-(4,6-Dimethyl-1H-benzoimidazol-2-yl)-4-methylene-pyrrolidin-1-yl]-[5-(3,4-dimethyl-phenyl)-2-methyl-thiazol-4-yl]-methanone

SMILES: Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3c(C)cc(C)cc3[nH]2)c(s1)-c1ccc(C)c(C)c1

InChI Key: InChIKey=UCGAGGJWCWXTIP-QFIPXVFZSA-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 = 335287   

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))	BDBM335287 (US11040966, Example 6.58 | US9732075, Example 6.58...) Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3c(C)cc(C)cc3[nH]2)c(s1)-c1ccc(C)c(C)c1 Show InChI InChI=1S/C27H28N4OS/c1-14-9-18(5)23-21(10-14)29-26(30-23)22-11-15(2)13-31(22)27(32)24-25(33-19(6)28-24)20-8-7-16(3)17(4)12-20/h7-10,12,22H,2,11,13H2,1,3-6H3,(H,29,30)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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))	BDBM335287 (US11040966, Example 6.58 | US9732075, Example 6.58...) Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3c(C)cc(C)cc3[nH]2)c(s1)-c1ccc(C)c(C)c1 Show InChI InChI=1S/C27H28N4OS/c1-14-9-18(5)23-21(10-14)29-26(30-23)22-11-15(2)13-31(22)27(32)24-25(33-19(6)28-24)20-8-7-16(3)17(4)12-20/h7-10,12,22H,2,11,13H2,1,3-6H3,(H,29,30)/t22-/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))	BDBM335287 (US11040966, Example 6.58 | US9732075, Example 6.58...) Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3c(C)cc(C)cc3[nH]2)c(s1)-c1ccc(C)c(C)c1 Show InChI InChI=1S/C27H28N4OS/c1-14-9-18(5)23-21(10-14)29-26(30-23)22-11-15(2)13-31(22)27(32)24-25(33-19(6)28-24)20-8-7-16(3)17(4)12-20/h7-10,12,22H,2,11,13H2,1,3-6H3,(H,29,30)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	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))	BDBM335287 (US11040966, Example 6.58 | US9732075, Example 6.58...) Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3c(C)cc(C)cc3[nH]2)c(s1)-c1ccc(C)c(C)c1 Show InChI InChI=1S/C27H28N4OS/c1-14-9-18(5)23-21(10-14)29-26(30-23)22-11-15(2)13-31(22)27(32)24-25(33-19(6)28-24)20-8-7-16(3)17(4)12-20/h7-10,12,22H,2,11,13H2,1,3-6H3,(H,29,30)/t22-/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