BDBM183960 US9150566, Ref. 4

SMILES: Cc1ccc(c(c1)C(=O)N1CCCC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1

InChI Key: InChIKey=VYUBRYYCCNWARR-FQEVSTJZSA-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 = 183960   

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))	BDBM183960 (US9150566, Ref. 4) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1 |r| Show InChI InChI=1S/C24H25N7O/c1-18-8-9-23(31-27-12-13-28-31)22(15-18)24(32)29-14-3-2-6-20(29)16-19-5-4-7-21(17-19)30-25-10-11-26-30/h4-5,7-13,15,17,20H,2-3,6,14,16H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	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))	BDBM183960 (US9150566, Ref. 4) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1 |r| Show InChI InChI=1S/C24H25N7O/c1-18-8-9-23(31-27-12-13-28-31)22(15-18)24(32)29-14-3-2-6-20(29)16-19-5-4-7-21(17-19)30-25-10-11-26-30/h4-5,7-13,15,17,20H,2-3,6,14,16H2,1H3/t20-/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	7.70E+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))	BDBM183960 (US9150566, Ref. 4) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1 |r| Show InChI InChI=1S/C24H25N7O/c1-18-8-9-23(31-27-12-13-28-31)22(15-18)24(32)29-14-3-2-6-20(29)16-19-5-4-7-21(17-19)30-25-10-11-26-30/h4-5,7-13,15,17,20H,2-3,6,14,16H2,1H3/t20-/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	2	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