BDBM163898 US9062078, 29::US9475819, 29::US9637496, 29::US9695183, 29

SMILES: Cc1nc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(s1)-c1ccccc1F

InChI Key: InChIKey=AKGIMZNLGCHCNE-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 163898   

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))	BDBM163898 (US9062078, 29 | US9475819, 29 | US9637496, 29 | US...) Show SMILES Cc1nc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(s1)-c1ccccc1F |TLB:12:11:9.8:6| Show InChI InChI=1S/C23H21F2N3O2S/c1-13-27-21(22(31-13)17-4-2-3-5-18(17)25)23(29)28-16-7-8-19(28)14(10-16)12-30-20-9-6-15(24)11-26-20/h2-6,9,11,14,16,19H,7-8,10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9637496 (2017) BindingDB Entry DOI: 10.7270/Q24J0H68
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM163898 (US9062078, 29 | US9475819, 29 | US9637496, 29 | US...) Show SMILES Cc1nc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(s1)-c1ccccc1F |TLB:12:11:9.8:6| Show InChI InChI=1S/C23H21F2N3O2S/c1-13-27-21(22(31-13)17-4-2-3-5-18(17)25)23(29)28-16-7-8-19(28)14(10-16)12-30-20-9-6-15(24)11-26-20/h2-6,9,11,14,16,19H,7-8,10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11	-10.1	n/a	n/a	n/a	n/a	n/a	n/a	4
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9475819 (2016) BindingDB Entry DOI: 10.7270/Q2DZ0771
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM163898 (US9062078, 29 | US9475819, 29 | US9637496, 29 | US...) Show SMILES Cc1nc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(s1)-c1ccccc1F |TLB:12:11:9.8:6| Show InChI InChI=1S/C23H21F2N3O2S/c1-13-27-21(22(31-13)17-4-2-3-5-18(17)25)23(29)28-16-7-8-19(28)14(10-16)12-30-20-9-6-15(24)11-26-20/h2-6,9,11,14,16,19H,7-8,10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11	-10.1	n/a	n/a	n/a	n/a	n/a	n/a	4
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9695183 (2017) BindingDB Entry DOI: 10.7270/Q2N58JHM
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM163898 (US9062078, 29 | US9475819, 29 | US9637496, 29 | US...) Show SMILES Cc1nc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(s1)-c1ccccc1F |TLB:12:11:9.8:6| Show InChI InChI=1S/C23H21F2N3O2S/c1-13-27-21(22(31-13)17-4-2-3-5-18(17)25)23(29)28-16-7-8-19(28)14(10-16)12-30-20-9-6-15(24)11-26-20/h2-6,9,11,14,16,19H,7-8,10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11	-10.1	n/a	n/a	n/a	n/a	n/a	n/a	4
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM001525) or Chinese ovary cells (CHO) s...				US Patent US9062078 (2015) BindingDB Entry DOI: 10.7270/Q2RX99V3
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM163898 (US9062078, 29 | US9475819, 29 | US9637496, 29 | US...) Show SMILES Cc1nc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(s1)-c1ccccc1F |TLB:12:11:9.8:6| Show InChI InChI=1S/C23H21F2N3O2S/c1-13-27-21(22(31-13)17-4-2-3-5-18(17)25)23(29)28-16-7-8-19(28)14(10-16)12-30-20-9-6-15(24)11-26-20/h2-6,9,11,14,16,19H,7-8,10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	60	-10.3	n/a	n/a	n/a	n/a	n/a	n/a	40
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 (Hyclone, cat # SH30022), 10%...				US Patent US9695183 (2017) BindingDB Entry DOI: 10.7270/Q2N58JHM
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM163898 (US9062078, 29 | US9475819, 29 | US9637496, 29 | US...) Show SMILES Cc1nc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(s1)-c1ccccc1F |TLB:12:11:9.8:6| Show InChI InChI=1S/C23H21F2N3O2S/c1-13-27-21(22(31-13)17-4-2-3-5-18(17)25)23(29)28-16-7-8-19(28)14(10-16)12-30-20-9-6-15(24)11-26-20/h2-6,9,11,14,16,19H,7-8,10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 (Hyclone, cat #SH30022), 10% ...				US Patent US9637496 (2017) BindingDB Entry DOI: 10.7270/Q24J0H68
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM163898 (US9062078, 29 | US9475819, 29 | US9637496, 29 | US...) Show SMILES Cc1nc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(s1)-c1ccccc1F |TLB:12:11:9.8:6| Show InChI InChI=1S/C23H21F2N3O2S/c1-13-27-21(22(31-13)17-4-2-3-5-18(17)25)23(29)28-16-7-8-19(28)14(10-16)12-30-20-9-6-15(24)11-26-20/h2-6,9,11,14,16,19H,7-8,10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	60	-10.3	n/a	n/a	n/a	n/a	n/a	n/a	40
JANSSEN PHARMACEUTICA NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% F...				US Patent US9062078 (2015) BindingDB Entry DOI: 10.7270/Q2RX99V3
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM163898 (US9062078, 29 | US9475819, 29 | US9637496, 29 | US...) Show SMILES Cc1nc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(s1)-c1ccccc1F |TLB:12:11:9.8:6| Show InChI InChI=1S/C23H21F2N3O2S/c1-13-27-21(22(31-13)17-4-2-3-5-18(17)25)23(29)28-16-7-8-19(28)14(10-16)12-30-20-9-6-15(24)11-26-20/h2-6,9,11,14,16,19H,7-8,10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	60	-10.3	n/a	n/a	n/a	n/a	n/a	n/a	40
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 (Hyclone, cat #SH30022), 10% ...				US Patent US9475819 (2016) BindingDB Entry DOI: 10.7270/Q2DZ0771
					More data for this Ligand-Target Pair