BDBM183961 US9150566, Ref. 3

SMILES: O=C(N1CCCC[C@H]1Cc1cccc(c1)-n1nccn1)c1ccccc1-n1nccn1

InChI Key: InChIKey=OBJHSZWESOSYIS-IBGZPJMESA-N

Data: 3 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 3 hits for monomerid = 183961   

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))	BDBM183961 (US9150566, Ref. 3) Show SMILES O=C(N1CCCC[C@H]1Cc1cccc(c1)-n1nccn1)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C23H23N7O/c31-23(21-9-1-2-10-22(21)30-26-13-14-27-30)28-15-4-3-7-19(28)16-18-6-5-8-20(17-18)29-24-11-12-25-29/h1-2,5-6,8-14,17,19H,3-4,7,15-16H2/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
ACTELION 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 US9150566 (2015) BindingDB Entry DOI: 10.7270/Q2M32TJ3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM183961 (US9150566, Ref. 3) Show SMILES O=C(N1CCCC[C@H]1Cc1cccc(c1)-n1nccn1)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C23H23N7O/c31-23(21-9-1-2-10-22(21)30-26-13-14-27-30)28-15-4-3-7-19(28)16-18-6-5-8-20(17-18)29-24-11-12-25-29/h1-2,5-6,8-14,17,19H,3-4,7,15-16H2/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	7.4	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...				US Patent US9150566 (2015) BindingDB Entry DOI: 10.7270/Q2M32TJ3
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM183961 (US9150566, Ref. 3) Show SMILES O=C(N1CCCC[C@H]1Cc1cccc(c1)-n1nccn1)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C23H23N7O/c31-23(21-9-1-2-10-22(21)30-26-13-14-27-30)28-15-4-3-7-19(28)16-18-6-5-8-20(17-18)29-24-11-12-25-29/h1-2,5-6,8-14,17,19H,3-4,7,15-16H2/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	37
ACTELION 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 US9150566 (2015) BindingDB Entry DOI: 10.7270/Q2M32TJ3
					More data for this Ligand-Target Pair