BDBM118664 US8653263, 317::US9586962, Example 317

SMILES: Cc1nc(nc(C)c1Cl)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1

InChI Key: InChIKey=SJRWBJIHRZDIPO-UHFFFAOYSA-N

Data: 4 KI

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 6 hits for monomerid = 118664   

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 2 (Homo sapiens (Human))	BDBM118664 (US11059828, Example 317 | US8653263, 317 | US95869...) Show SMILES Cc1nc(nc(C)c1Cl)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1 Show InChI InChI=1S/C21H21ClFN7O/c1-12-19(22)13(2)27-21(26-12)29-10-14-8-28(9-15(14)11-29)20(31)18-16(23)4-3-5-17(18)30-24-6-7-25-30/h3-7,14-15H,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica US Patent					Assay Description The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...				US Patent US8653263 (2014) BindingDB Entry DOI: 10.7270/Q2BR8QV7
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM118664 (US11059828, Example 317 | US8653263, 317 | US95869...) Show SMILES Cc1nc(nc(C)c1Cl)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1 Show InChI InChI=1S/C21H21ClFN7O/c1-12-19(22)13(2)27-21(26-12)29-10-14-8-28(9-15(14)11-29)20(31)18-16(23)4-3-5-17(18)30-24-6-7-25-30/h3-7,14-15H,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	-11.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...				US Patent US9586962 (2017) BindingDB Entry DOI: 10.7270/Q27H1MN9
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM118664 (US11059828, Example 317 | US8653263, 317 | US95869...) Show SMILES Cc1nc(nc(C)c1Cl)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1 Show InChI InChI=1S/C21H21ClFN7O/c1-12-19(22)13(2)27-21(26-12)29-10-14-8-28(9-15(14)11-29)20(31)18-16(23)4-3-5-17(18)30-24-6-7-25-30/h3-7,14-15H,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		3	n/a	n/a	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))	BDBM118664 (US11059828, Example 317 | US8653263, 317 | US95869...) Show SMILES Cc1nc(nc(C)c1Cl)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1 Show InChI InChI=1S/C21H21ClFN7O/c1-12-19(22)13(2)27-21(26-12)29-10-14-8-28(9-15(14)11-29)20(31)18-16(23)4-3-5-17(18)30-24-6-7-25-30/h3-7,14-15H,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	34	-10.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...				US Patent US9586962 (2017) BindingDB Entry DOI: 10.7270/Q27H1MN9
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM118664 (US11059828, Example 317 | US8653263, 317 | US95869...) Show SMILES Cc1nc(nc(C)c1Cl)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1 Show InChI InChI=1S/C21H21ClFN7O/c1-12-19(22)13(2)27-21(26-12)29-10-14-8-28(9-15(14)11-29)20(31)18-16(23)4-3-5-17(18)30-24-6-7-25-30/h3-7,14-15H,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		34	n/a	n/a	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))	BDBM118664 (US11059828, Example 317 | US8653263, 317 | US95869...) Show SMILES Cc1nc(nc(C)c1Cl)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1 Show InChI InChI=1S/C21H21ClFN7O/c1-12-19(22)13(2)27-21(26-12)29-10-14-8-28(9-15(14)11-29)20(31)18-16(23)4-3-5-17(18)30-24-6-7-25-30/h3-7,14-15H,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica US Patent					Assay Description The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...				US Patent US8653263 (2014) BindingDB Entry DOI: 10.7270/Q2BR8QV7
					More data for this Ligand-Target Pair