BDBM50443099 CHEMBL3085821

SMILES: CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1

InChI Key: InChIKey=LDQCWGIXZGDJNL-IYARVYRRSA-N

Data: 1 KI  4 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 5 hits for monomerid = 50443099   

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(2) dopamine receptor (Homo sapiens (Human))	BDBM50443099 (CHEMBL3085821) Show SMILES CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:8.7,wD:11.11,(43.73,-15.34,;42.4,-14.57,;42.4,-13.03,;43.72,-13.78,;41.06,-15.33,;39.73,-14.56,;39.73,-13.02,;38.4,-15.33,;37.06,-14.56,;35.73,-15.33,;34.4,-14.56,;34.4,-13.01,;33.06,-12.25,;31.73,-13.02,;30.4,-12.25,;29.05,-13.03,;27.71,-12.27,;27.7,-10.71,;29.04,-9.92,;30.39,-10.7,;26.37,-9.95,;26.36,-8.41,;25.02,-7.65,;23.69,-8.43,;23.71,-9.97,;22.38,-10.76,;25.05,-10.73,;25.06,-12.27,;35.73,-12.24,;37.06,-13.02,)| Show InChI InChI=1S/C23H35Cl2N3O2/c1-23(2,3)30-22(29)26-18-9-7-17(8-10-18)11-12-27-13-15-28(16-14-27)20-6-4-5-19(24)21(20)25/h4-6,17-18H,7-16H2,1-3H3,(H,26,29)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis				J Med Chem 56: 9199-221 (2013) Article DOI: 10.1021/jm401318w BindingDB Entry DOI: 10.7270/Q2RF5WGV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50443099 (CHEMBL3085821) Show SMILES CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:8.7,wD:11.11,(43.73,-15.34,;42.4,-14.57,;42.4,-13.03,;43.72,-13.78,;41.06,-15.33,;39.73,-14.56,;39.73,-13.02,;38.4,-15.33,;37.06,-14.56,;35.73,-15.33,;34.4,-14.56,;34.4,-13.01,;33.06,-12.25,;31.73,-13.02,;30.4,-12.25,;29.05,-13.03,;27.71,-12.27,;27.7,-10.71,;29.04,-9.92,;30.39,-10.7,;26.37,-9.95,;26.36,-8.41,;25.02,-7.65,;23.69,-8.43,;23.71,-9.97,;22.38,-10.76,;25.05,-10.73,;25.06,-12.27,;35.73,-12.24,;37.06,-13.02,)| Show InChI InChI=1S/C23H35Cl2N3O2/c1-23(2,3)30-22(29)26-18-9-7-17(8-10-18)11-12-27-13-15-28(16-14-27)20-6-4-5-19(24)21(20)25/h4-6,17-18H,7-16H2,1-3H3,(H,26,29)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Partial agonist activity at D2L receptor (unknown origin) expressed in human HTLA cells assessed as beta-arrestin2 recruitment after 20 to 22 hrs by ...				J Med Chem 62: 4755-4771 (2019) Article DOI: 10.1021/acs.jmedchem.9b00508
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50443099 (CHEMBL3085821) Show SMILES CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:8.7,wD:11.11,(43.73,-15.34,;42.4,-14.57,;42.4,-13.03,;43.72,-13.78,;41.06,-15.33,;39.73,-14.56,;39.73,-13.02,;38.4,-15.33,;37.06,-14.56,;35.73,-15.33,;34.4,-14.56,;34.4,-13.01,;33.06,-12.25,;31.73,-13.02,;30.4,-12.25,;29.05,-13.03,;27.71,-12.27,;27.7,-10.71,;29.04,-9.92,;30.39,-10.7,;26.37,-9.95,;26.36,-8.41,;25.02,-7.65,;23.69,-8.43,;23.71,-9.97,;22.38,-10.76,;25.05,-10.73,;25.06,-12.27,;35.73,-12.24,;37.06,-13.02,)| Show InChI InChI=1S/C23H35Cl2N3O2/c1-23(2,3)30-22(29)26-18-9-7-17(8-10-18)11-12-27-13-15-28(16-14-27)20-6-4-5-19(24)21(20)25/h4-6,17-18H,7-16H2,1-3H3,(H,26,29)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Partial agonist activity at human Gi/o-coupled D2R expressed in HEK293T cells assessed as inhibition of isoproterenol-induced cAMP accumulation prein...				J Med Chem 62: 4755-4771 (2019) Article DOI: 10.1021/acs.jmedchem.9b00508
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50443099 (CHEMBL3085821) Show SMILES CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:8.7,wD:11.11,(43.73,-15.34,;42.4,-14.57,;42.4,-13.03,;43.72,-13.78,;41.06,-15.33,;39.73,-14.56,;39.73,-13.02,;38.4,-15.33,;37.06,-14.56,;35.73,-15.33,;34.4,-14.56,;34.4,-13.01,;33.06,-12.25,;31.73,-13.02,;30.4,-12.25,;29.05,-13.03,;27.71,-12.27,;27.7,-10.71,;29.04,-9.92,;30.39,-10.7,;26.37,-9.95,;26.36,-8.41,;25.02,-7.65,;23.69,-8.43,;23.71,-9.97,;22.38,-10.76,;25.05,-10.73,;25.06,-12.27,;35.73,-12.24,;37.06,-13.02,)| Show InChI InChI=1S/C23H35Cl2N3O2/c1-23(2,3)30-22(29)26-18-9-7-17(8-10-18)11-12-27-13-15-28(16-14-27)20-6-4-5-19(24)21(20)25/h4-6,17-18H,7-16H2,1-3H3,(H,26,29)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Partial agonist activity at human Gi/o-coupled D2R expressed in HEK293T cells assessed as inhibition of isoproterenol-induced cAMP accumulation prein...				J Med Chem 62: 4755-4771 (2019) Article DOI: 10.1021/acs.jmedchem.9b00508
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50443099 (CHEMBL3085821) Show SMILES CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:8.7,wD:11.11,(43.73,-15.34,;42.4,-14.57,;42.4,-13.03,;43.72,-13.78,;41.06,-15.33,;39.73,-14.56,;39.73,-13.02,;38.4,-15.33,;37.06,-14.56,;35.73,-15.33,;34.4,-14.56,;34.4,-13.01,;33.06,-12.25,;31.73,-13.02,;30.4,-12.25,;29.05,-13.03,;27.71,-12.27,;27.7,-10.71,;29.04,-9.92,;30.39,-10.7,;26.37,-9.95,;26.36,-8.41,;25.02,-7.65,;23.69,-8.43,;23.71,-9.97,;22.38,-10.76,;25.05,-10.73,;25.06,-12.27,;35.73,-12.24,;37.06,-13.02,)| Show InChI InChI=1S/C23H35Cl2N3O2/c1-23(2,3)30-22(29)26-18-9-7-17(8-10-18)11-12-27-13-15-28(16-14-27)20-6-4-5-19(24)21(20)25/h4-6,17-18H,7-16H2,1-3H3,(H,26,29)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Partial agonist activity at D2L receptor (unknown origin) expressed in human HTLA cells assessed as beta-arrestin2 recruitment after 20 to 22 hrs by ...				J Med Chem 62: 4755-4771 (2019) Article DOI: 10.1021/acs.jmedchem.9b00508
					More data for this Ligand-Target Pair