BDBM102135 US8530648, 32

SMILES: O=C1N(Cc2cccc(c2)-c2cccnc2)CCCC11CCN(CC1)c1cnc2ccccc2n1

InChI Key: InChIKey=CWYFTFBSOGXBMH-UHFFFAOYSA-N

Data: 2 KI  2 Kd

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 4 hits for monomerid = 102135   

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))	BDBM102135 (US8530648, 32) Show SMILES O=C1N(Cc2cccc(c2)-c2cccnc2)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C29H29N5O/c35-28-29(12-16-33(17-13-29)27-20-31-25-9-1-2-10-26(25)32-27)11-5-15-34(28)21-22-6-3-7-23(18-22)24-8-4-14-30-19-24/h1-4,6-10,14,18-20H,5,11-13,15-17,21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	22	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Novartis AG US Patent					Assay Description FLIPR assay using orexin receptor.				US Patent US8530648 (2013) BindingDB Entry DOI: 10.7270/Q2SB44DR
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM102135 (US8530648, 32) Show SMILES O=C1N(Cc2cccc(c2)-c2cccnc2)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C29H29N5O/c35-28-29(12-16-33(17-13-29)27-20-31-25-9-1-2-10-26(25)32-27)11-5-15-34(28)21-22-6-3-7-23(18-22)24-8-4-14-30-19-24/h1-4,6-10,14,18-20H,5,11-13,15-17,21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	83	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Novartis AG US Patent					Assay Description FLIPR assay using orexin receptor.				US Patent US8530648 (2013) BindingDB Entry DOI: 10.7270/Q2SB44DR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM102135 (US8530648, 32) Show SMILES O=C1N(Cc2cccc(c2)-c2cccnc2)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C29H29N5O/c35-28-29(12-16-33(17-13-29)27-20-31-25-9-1-2-10-26(25)32-27)11-5-15-34(28)21-22-6-3-7-23(18-22)24-8-4-14-30-19-24/h1-4,6-10,14,18-20H,5,11-13,15-17,21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	98	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Radioligand binding assay using orexin receptor.				US Patent US8530648 (2013) BindingDB Entry DOI: 10.7270/Q2SB44DR
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM102135 (US8530648, 32) Show SMILES O=C1N(Cc2cccc(c2)-c2cccnc2)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C29H29N5O/c35-28-29(12-16-33(17-13-29)27-20-31-25-9-1-2-10-26(25)32-27)11-5-15-34(28)21-22-6-3-7-23(18-22)24-8-4-14-30-19-24/h1-4,6-10,14,18-20H,5,11-13,15-17,21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	426	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Radioligand binding assay using orexin receptor.				US Patent US8530648 (2013) BindingDB Entry DOI: 10.7270/Q2SB44DR
					More data for this Ligand-Target Pair