BDBM172437 US9090618, ZA60::US9598411, Ref. No. ZA60

SMILES: C(c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)c1cnccn1

InChI Key: InChIKey=BGPVEBATJGVAJE-KEQUZKIMSA-N

Data: 4 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 4 hits for monomerid = 172437   

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
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM172437 (US9090618, ZA60 | US9598411, Ref. No. ZA60) Show SMILES C(c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)c1cnccn1 |r,THB:19:18:10.11.17:13.15.14| Show InChI InChI=1S/C30H39N5/c1-2-7-22-14-21(6-1)15-26(16-22)34-24-8-5-9-25(34)19-27(18-24)35-29-11-4-3-10-28(29)33-30(35)17-23-20-31-12-13-32-23/h3-4,10-13,20-22,24-27H,1-2,5-9,14-19H2/t21-,22+,24-,25+,26-,27+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.5	-11.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a fin...				US Patent US9090618 (2015) BindingDB Entry DOI: 10.7270/Q2G73CGB
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM172437 (US9090618, ZA60 | US9598411, Ref. No. ZA60) Show SMILES C(c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)c1cnccn1 |r,THB:19:18:10.11.17:13.15.14| Show InChI InChI=1S/C30H39N5/c1-2-7-22-14-21(6-1)15-26(16-22)34-24-8-5-9-25(34)19-27(18-24)35-29-11-4-3-10-28(29)33-30(35)17-23-20-31-12-13-32-23/h3-4,10-13,20-22,24-27H,1-2,5-9,14-19H2/t21-,22+,24-,25+,26-,27+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...				US Patent US9598411 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6V9S
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM172437 (US9090618, ZA60 | US9598411, Ref. No. ZA60) Show SMILES C(c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)c1cnccn1 |r,THB:19:18:10.11.17:13.15.14| Show InChI InChI=1S/C30H39N5/c1-2-7-22-14-21(6-1)15-26(16-22)34-24-8-5-9-25(34)19-27(18-24)35-29-11-4-3-10-28(29)33-30(35)17-23-20-31-12-13-32-23/h3-4,10-13,20-22,24-27H,1-2,5-9,14-19H2/t21-,22+,24-,25+,26-,27+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	115	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose displacement assays used 0.4-0.8 nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 μg membrane protein (recombinant kappa opioid re...				US Patent US9090618 (2015) BindingDB Entry DOI: 10.7270/Q2G73CGB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM172437 (US9090618, ZA60 | US9598411, Ref. No. ZA60) Show SMILES C(c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)c1cnccn1 |r,THB:19:18:10.11.17:13.15.14| Show InChI InChI=1S/C30H39N5/c1-2-7-22-14-21(6-1)15-26(16-22)34-24-8-5-9-25(34)19-27(18-24)35-29-11-4-3-10-28(29)33-30(35)17-23-20-31-12-13-32-23/h3-4,10-13,20-22,24-27H,1-2,5-9,14-19H2/t21-,22+,24-,25+,26-,27+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description μ-Opioid Receptor Binding Assay Procedures: Radioligand binding assays were conducted using freshly thawed membranes expressing human μ-rec...				US Patent US9598411 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6V9S
					More data for this Ligand-Target Pair