BDBM50261540 CHEMBL4063145

SMILES: O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12

InChI Key: InChIKey=AQCPIJGBSDFUKW-CVKSISIWSA-N

Data: 14 KI  3 EC50

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 17 hits for monomerid = 50261540   

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 (Homo sapiens (Human))	BDBM50261540 (CHEMBL4063145) Show SMILES O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12 Show InChI InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3R expressed in CHO cell membranes				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50261540 (CHEMBL4063145) Show SMILES O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12 Show InChI InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3R expressed in CHO cell membranes				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50261540 (CHEMBL4063145) Show SMILES O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12 Show InChI InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2SR expressed in CHO cell membranes				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50261540 (CHEMBL4063145) Show SMILES O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12 Show InChI InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2LR expressed in CHO cell membranes				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50261540 (CHEMBL4063145) Show SMILES O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12 Show InChI InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human D2SR expressed in HEK293 cell membranes co-expressing PTX insensitive variant of Galphao1 incubated for 30 mins by [35S]GTP...				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50261540 (CHEMBL4063145) Show SMILES O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12 Show InChI InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2LR expressed in CHO cell membranes				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50261540 (CHEMBL4063145) Show SMILES O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12 Show InChI InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D4R expressed in CHO cell membranes				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50261540 (CHEMBL4063145) Show SMILES O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12 Show InChI InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D4R expressed in CHO cell membranes				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50261540 (CHEMBL4063145) Show SMILES O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12 Show InChI InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5-HT2AR expressed in HEK293T cell membranes1				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50261540 (CHEMBL4063145) Show SMILES O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12 Show InChI InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5-HT2AR expressed in HEK293T cell membranes1				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50261540 (CHEMBL4063145) Show SMILES O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12 Show InChI InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human D1R expressed in HEK293T cell membranes				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50261540 (CHEMBL4063145) Show SMILES O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12 Show InChI InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human D1R expressed in HEK293T cell membranes				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50261540 (CHEMBL4063145) Show SMILES O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12 Show InChI InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human D5R expressed in HEK293T cell membranes				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50261540 (CHEMBL4063145) Show SMILES O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12 Show InChI InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human D5R expressed in HEK293T cell membranes				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50261540 (CHEMBL4063145) Show SMILES O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12 Show InChI InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human D2SR expressed in HEK293 cells incubated for 5 hrs by beta-Arrestin 2 recruitment assay				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50261540 (CHEMBL4063145) Show SMILES O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12 Show InChI InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human D2SR expressed in HEK293 cell membranes co-expressing PTX insensitive variant of Galphao1 incubated for 30 mins by [35S]GTP...				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50261540 (CHEMBL4063145) Show SMILES O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4NC(=O)COc34)cc12 Show InChI InChI=1S/C24H28N6O5/c31-21-4-3-19(24-23(21)27-22(32)16-35-24)29-10-8-28(9-11-29)6-1-2-12-34-18-5-7-30-20(13-18)17(14-25-30)15-26-33/h3-5,7,13-15,31,33H,1-2,6,8-12,16H2,(H,27,32)/b26-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human D2SR expressed in HEK293 cell membranes co-expressing PTX insensitive variant of Galphao1 incubated for 30 mins by [35S]GTP...				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair