BDBM143789 US10183953, Example 50::US8969352, 50::US9611277, Example 50::US9845333, 50

SMILES: Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1

InChI Key: InChIKey=GOUAQCADINSCHG-UHFFFAOYSA-N

Data: 18 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 18 hits for monomerid = 143789   

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 (OX1) (Rattus norvegicus (Rat))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin receptor type 1 (OX1) (Rattus norvegicus (Rat))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Rat and Human Orexin 1 Receptor:Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_00152...				US Patent US9845333 (2017) BindingDB Entry DOI: 10.7270/Q21838TW
					More data for this Ligand-Target Pair
Orexin receptor type 1 (OX1) (Rattus norvegicus (Rat))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7	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 US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					More data for this Ligand-Target Pair
Orexin receptor type 1 (OX1) (Rattus norvegicus (Rat))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin receptor type 1 (OX1) (Rattus norvegicus (Rat))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7	-10.3	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 US8969352 (2015) BindingDB Entry DOI: 10.7270/Q2FB51PC
					More data for this Ligand-Target Pair
Orexin receptor type 1 (OX1) (Rattus norvegicus (Rat))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7	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 US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9	-10.2	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 US8969352 (2015) BindingDB Entry DOI: 10.7270/Q2FB51PC
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Rat and Human Orexin 1 Receptor:Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_00152...				US Patent US9845333 (2017) BindingDB Entry DOI: 10.7270/Q21838TW
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CHO cells stably transfected with the human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12, 10% FBS, 1×...				US Patent US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CHO cells stably transfected with the human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12, 10% FBS, 1×...				US Patent US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	578	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description PFSK-1 cells endogenously expressing the human orexin 2 receptor were grown to confluency in RPMI1640 (Hyclone, cat #30027.02), 10% FBS, 1× pen-strep...				US Patent US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	578	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin receptor type 2 (OX2) (Rattus norvegicus (Rat))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Human Orexin 2 Receptor:HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hycl...				US Patent US9845333 (2017) BindingDB Entry DOI: 10.7270/Q21838TW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description PFSK-1 cells endogenously expressing the human orexin 2 receptor were grown to confluency in RPMI1640 (Hyclone, cat #30027.02), 10% FBS, 1× pen-strep...				US Patent US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	670	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 US8969352 (2015) BindingDB Entry DOI: 10.7270/Q2FB51PC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM143789 (US10183953, Example 50 | US8969352, 50 | US9611277...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1 |TLB:14:13:9.10:23,7:9:13.12:23| Show InChI InChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	670	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair