BDBM335284 US9732075, Example 6.55::[(S)-2-(5-Chloro-6-methyl-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]2c2nc3cc(Cl)c(C)cc3[nH]2)c(s1)-c1ccc(C)c(C)c1

InChI Key: InChIKey=VPGMOJNQLSGSJB-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 = 335284   

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))	BDBM335284 (US11040966, Example 6.55 | US9732075, Example 6.55...) Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cc(Cl)c(C)cc3[nH]2)c(s1)-c1ccc(C)c(C)c1 Show InChI InChI=1S/C26H25ClN4OS/c1-13-8-22(25-29-20-10-16(4)19(27)11-21(20)30-25)31(12-13)26(32)23-24(33-17(5)28-23)18-7-6-14(2)15(3)9-18/h6-7,9-11,22H,1,8,12H2,2-5H3,(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	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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM335284 (US11040966, Example 6.55 | US9732075, Example 6.55...) Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cc(Cl)c(C)cc3[nH]2)c(s1)-c1ccc(C)c(C)c1 Show InChI InChI=1S/C26H25ClN4OS/c1-13-8-22(25-29-20-10-16(4)19(27)11-21(20)30-25)31(12-13)26(32)23-24(33-17(5)28-23)18-7-6-14(2)15(3)9-18/h6-7,9-11,22H,1,8,12H2,2-5H3,(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))	BDBM335284 (US11040966, Example 6.55 | US9732075, Example 6.55...) Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cc(Cl)c(C)cc3[nH]2)c(s1)-c1ccc(C)c(C)c1 Show InChI InChI=1S/C26H25ClN4OS/c1-13-8-22(25-29-20-10-16(4)19(27)11-21(20)30-25)31(12-13)26(32)23-24(33-17(5)28-23)18-7-6-14(2)15(3)9-18/h6-7,9-11,22H,1,8,12H2,2-5H3,(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	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 2 (Homo sapiens (Human))	BDBM335284 (US11040966, Example 6.55 | US9732075, Example 6.55...) Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cc(Cl)c(C)cc3[nH]2)c(s1)-c1ccc(C)c(C)c1 Show InChI InChI=1S/C26H25ClN4OS/c1-13-8-22(25-29-20-10-16(4)19(27)11-21(20)30-25)31(12-13)26(32)23-24(33-17(5)28-23)18-7-6-14(2)15(3)9-18/h6-7,9-11,22H,1,8,12H2,2-5H3,(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