BDBM50099800 4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-adamantan-2-yl-pyrrolidin-3-yl)-amide::CHEMBL52298

SMILES: COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2

InChI Key: InChIKey=XLNJGZHDQBCQJA-ZHOVQHOQSA-N

Data: 3 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 3 hits for monomerid = 50099800   

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
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50099800 (4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...) Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:26.29,24.33,22.25,16.17,wD:28.32,TLB:19:21:23:26.30.25,THB:27:28:23:26.30.25,27:26:23:21.28.29,(6.46,-4.73,;7.77,-5.5,;7.81,-7.04,;9.12,-7.81,;9.12,-9.35,;7.81,-10.12,;7.77,-11.66,;6.46,-9.35,;5.14,-10.12,;3.8,-9.35,;3.8,-7.81,;5.14,-7.04,;6.46,-7.81,;10.47,-7.04,;10.44,-5.5,;11.79,-7.81,;13.1,-7,;13.1,-5.5,;15.76,-5.5,;15.76,-7.04,;14.45,-7.77,;17.08,-7.81,;18.27,-6.52,;18.27,-5.05,;19.61,-4.57,;20.99,-5.14,;20.99,-6.68,;19.97,-7.94,;18.55,-7.39,;18.55,-5.79,;19.58,-7,)| Show InChI InChI=1S/C26H31BrN2O2/c1-31-25-21-5-3-2-4-20(21)23(27)13-22(25)26(30)28-19-6-7-29(14-19)24-17-9-15-8-16(11-17)12-18(24)10-15/h2-5,13,15-19,24H,6-12,14H2,1H3,(H,28,30)/t15-,16+,17-,18+,19-,24?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University School of Medicine Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.				J Med Chem 44: 1815-26 (2001) BindingDB Entry DOI: 10.7270/Q2NK3DBZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50099800 (4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...) Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:26.29,24.33,22.25,16.17,wD:28.32,TLB:19:21:23:26.30.25,THB:27:28:23:26.30.25,27:26:23:21.28.29,(6.46,-4.73,;7.77,-5.5,;7.81,-7.04,;9.12,-7.81,;9.12,-9.35,;7.81,-10.12,;7.77,-11.66,;6.46,-9.35,;5.14,-10.12,;3.8,-9.35,;3.8,-7.81,;5.14,-7.04,;6.46,-7.81,;10.47,-7.04,;10.44,-5.5,;11.79,-7.81,;13.1,-7,;13.1,-5.5,;15.76,-5.5,;15.76,-7.04,;14.45,-7.77,;17.08,-7.81,;18.27,-6.52,;18.27,-5.05,;19.61,-4.57,;20.99,-5.14,;20.99,-6.68,;19.97,-7.94,;18.55,-7.39,;18.55,-5.79,;19.58,-7,)| Show InChI InChI=1S/C26H31BrN2O2/c1-31-25-21-5-3-2-4-20(21)23(27)13-22(25)26(30)28-19-6-7-29(14-19)24-17-9-15-8-16(11-17)12-18(24)10-15/h2-5,13,15-19,24H,6-12,14H2,1H3,(H,28,30)/t15-,16+,17-,18+,19-,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University School of Medicine Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.				J Med Chem 44: 1815-26 (2001) BindingDB Entry DOI: 10.7270/Q2NK3DBZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50099800 (4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...) Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:26.29,24.33,22.25,16.17,wD:28.32,TLB:19:21:23:26.30.25,THB:27:28:23:26.30.25,27:26:23:21.28.29,(6.46,-4.73,;7.77,-5.5,;7.81,-7.04,;9.12,-7.81,;9.12,-9.35,;7.81,-10.12,;7.77,-11.66,;6.46,-9.35,;5.14,-10.12,;3.8,-9.35,;3.8,-7.81,;5.14,-7.04,;6.46,-7.81,;10.47,-7.04,;10.44,-5.5,;11.79,-7.81,;13.1,-7,;13.1,-5.5,;15.76,-5.5,;15.76,-7.04,;14.45,-7.77,;17.08,-7.81,;18.27,-6.52,;18.27,-5.05,;19.61,-4.57,;20.99,-5.14,;20.99,-6.68,;19.97,-7.94,;18.55,-7.39,;18.55,-5.79,;19.58,-7,)| Show InChI InChI=1S/C26H31BrN2O2/c1-31-25-21-5-3-2-4-20(21)23(27)13-22(25)26(30)28-19-6-7-29(14-19)24-17-9-15-8-16(11-17)12-18(24)10-15/h2-5,13,15-19,24H,6-12,14H2,1H3,(H,28,30)/t15-,16+,17-,18+,19-,24?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University School of Medicine Curated by ChEMBL					Assay Description Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.				J Med Chem 44: 1815-26 (2001) BindingDB Entry DOI: 10.7270/Q2NK3DBZ
					More data for this Ligand-Target Pair