BDBM335142 US9732075, Example 6.104::[5-(3-Bromo-phenyl)-2-methyl-thiazol-4-yl]-[(S)-2-(7-methyl-1H-benzoimidazol-2-yl)-4-methylene-pyrrolidin-1-yl]-methanone

SMILES: Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cccc(C)c3[nH]2)c(s1)-c1cccc(Br)c1

InChI Key: InChIKey=CEFUBZHXLUSJPE-IBGZPJMESA-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 = 335142   

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))	BDBM335142 (US11040966, Example 6.104 | US9732075, Example 6.1...) Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cccc(C)c3[nH]2)c(s1)-c1cccc(Br)c1 Show InChI InChI=1S/C24H21BrN4OS/c1-13-10-19(23-27-18-9-4-6-14(2)20(18)28-23)29(12-13)24(30)21-22(31-15(3)26-21)16-7-5-8-17(25)11-16/h4-9,11,19H,1,10,12H2,2-3H3,(H,27,28)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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))	BDBM335142 (US11040966, Example 6.104 | US9732075, Example 6.1...) Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cccc(C)c3[nH]2)c(s1)-c1cccc(Br)c1 Show InChI InChI=1S/C24H21BrN4OS/c1-13-10-19(23-27-18-9-4-6-14(2)20(18)28-23)29(12-13)24(30)21-22(31-15(3)26-21)16-7-5-8-17(25)11-16/h4-9,11,19H,1,10,12H2,2-3H3,(H,27,28)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.800	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))	BDBM335142 (US11040966, Example 6.104 | US9732075, Example 6.1...) Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cccc(C)c3[nH]2)c(s1)-c1cccc(Br)c1 Show InChI InChI=1S/C24H21BrN4OS/c1-13-10-19(23-27-18-9-4-6-14(2)20(18)28-23)29(12-13)24(30)21-22(31-15(3)26-21)16-7-5-8-17(25)11-16/h4-9,11,19H,1,10,12H2,2-3H3,(H,27,28)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	13	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))	BDBM335142 (US11040966, Example 6.104 | US9732075, Example 6.1...) Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cccc(C)c3[nH]2)c(s1)-c1cccc(Br)c1 Show InChI InChI=1S/C24H21BrN4OS/c1-13-10-19(23-27-18-9-4-6-14(2)20(18)28-23)29(12-13)24(30)21-22(31-15(3)26-21)16-7-5-8-17(25)11-16/h4-9,11,19H,1,10,12H2,2-3H3,(H,27,28)/t19-/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	0.800	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