BDBM50132696 CHEMBL326454::N-((3R,4R)-1-Benzyl-4-methyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-4-methylamino-benzamide

SMILES: CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C

InChI Key: InChIKey=DCJWAUUNGWWIFD-KUHUBIRLSA-N

Data: 10 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 10 hits for monomerid = 50132696   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50132696 (CHEMBL326454 | N-((3R,4R)-1-Benzyl-4-methyl-pyrrol...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-11-25(12-15-7-5-4-6-8-15)13-19(14)24-21(26)16-9-17(22)18(23-2)10-20(16)27-3/h4-10,14,19,23H,11-13H2,1-3H3,(H,24,26)/t14-,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone [0.5 nM (Kd=0.1-0.45 nM)] from human recombinant dopamine receptor D4 expressed in CHO cells				Bioorg Med Chem Lett 13: 3293-6 (2003) BindingDB Entry DOI: 10.7270/Q2639P5F
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50132696 (CHEMBL326454 | N-((3R,4R)-1-Benzyl-4-methyl-pyrrol...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-11-25(12-15-7-5-4-6-8-15)13-19(14)24-21(26)16-9-17(22)18(23-2)10-20(16)27-3/h4-10,14,19,23H,11-13H2,1-3H3,(H,24,26)/t14-,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone [0.5 nM (Kd=0.1 nM)] from human recombinant dopamine receptor D2L expressed in CHO cells				Bioorg Med Chem Lett 13: 3293-6 (2003) BindingDB Entry DOI: 10.7270/Q2639P5F
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50132696 (CHEMBL326454 | N-((3R,4R)-1-Benzyl-4-methyl-pyrrol...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-11-25(12-15-7-5-4-6-8-15)13-19(14)24-21(26)16-9-17(22)18(23-2)10-20(16)27-3/h4-10,14,19,23H,11-13H2,1-3H3,(H,24,26)/t14-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]-SCH-23,390 [0.3 nM (Kd=0.35 nM)] from dopamine receptor D1 in bovine striatal membranes				Bioorg Med Chem Lett 13: 3293-6 (2003) BindingDB Entry DOI: 10.7270/Q2639P5F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50132696 (CHEMBL326454 | N-((3R,4R)-1-Benzyl-4-methyl-pyrrol...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-11-25(12-15-7-5-4-6-8-15)13-19(14)24-21(26)16-9-17(22)18(23-2)10-20(16)27-3/h4-10,14,19,23H,11-13H2,1-3H3,(H,24,26)/t14-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone [0.5 nM (Kd=0.1 nM)] from recombinant human dopamine receptor D3 expressed in CHO cells at 0.5 nM concentration				Bioorg Med Chem Lett 13: 3293-6 (2003) BindingDB Entry DOI: 10.7270/Q2639P5F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50132696 (CHEMBL326454 | N-((3R,4R)-1-Benzyl-4-methyl-pyrrol...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-11-25(12-15-7-5-4-6-8-15)13-19(14)24-21(26)16-9-17(22)18(23-2)10-20(16)27-3/h4-10,14,19,23H,11-13H2,1-3H3,(H,24,26)/t14-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone [0.5 nM (Kd=0.2-0.45 nM)] from human recombinant dopamine receptor D2S expressed in CHO cells at 0.5 nM concentration				Bioorg Med Chem Lett 13: 3293-6 (2003) BindingDB Entry DOI: 10.7270/Q2639P5F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50132696 (CHEMBL326454 | N-((3R,4R)-1-Benzyl-4-methyl-pyrrol...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-11-25(12-15-7-5-4-6-8-15)13-19(14)24-21(26)16-9-17(22)18(23-2)10-20(16)27-3/h4-10,14,19,23H,11-13H2,1-3H3,(H,24,26)/t14-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone [0.5 nM (Kd=0.2-0.45 nM)] from human cloned dopamine receptor D2S expressed in CHO cells at 0.5 nM concentration				Bioorg Med Chem Lett 13: 3293-6 (2003) BindingDB Entry DOI: 10.7270/Q2639P5F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50132696 (CHEMBL326454 | N-((3R,4R)-1-Benzyl-4-methyl-pyrrol...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-11-25(12-15-7-5-4-6-8-15)13-19(14)24-21(26)16-9-17(22)18(23-2)10-20(16)27-3/h4-10,14,19,23H,11-13H2,1-3H3,(H,24,26)/t14-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]-SCH-23,390 [0.3 nM (Kd=0.35 nM)] from dopamine receptor D1 in bovine striatal membranes				Bioorg Med Chem Lett 13: 3293-6 (2003) BindingDB Entry DOI: 10.7270/Q2639P5F
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50132696 (CHEMBL326454 | N-((3R,4R)-1-Benzyl-4-methyl-pyrrol...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-11-25(12-15-7-5-4-6-8-15)13-19(14)24-21(26)16-9-17(22)18(23-2)10-20(16)27-3/h4-10,14,19,23H,11-13H2,1-3H3,(H,24,26)/t14-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone [0.5 nM (Kd=0.1 nM)] from recombinant human dopamine receptor D3 expressed in CHO cells at 0.5 nM concentration				Bioorg Med Chem Lett 13: 3293-6 (2003) BindingDB Entry DOI: 10.7270/Q2639P5F
					More data for this Ligand-Target Pair
DRD1 (BOVINE)	BDBM50132696 (CHEMBL326454 | N-((3R,4R)-1-Benzyl-4-methyl-pyrrol...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-11-25(12-15-7-5-4-6-8-15)13-19(14)24-21(26)16-9-17(22)18(23-2)10-20(16)27-3/h4-10,14,19,23H,11-13H2,1-3H3,(H,24,26)/t14-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]-SCH-23,390 [0.3 nM (Kd=0.35 nM)] from dopamine receptor D1 in bovine striatal membranes				Bioorg Med Chem Lett 13: 3293-6 (2003) BindingDB Entry DOI: 10.7270/Q2639P5F
					More data for this Ligand-Target Pair
Dopamine receptor (BOVINE)	BDBM50132696 (CHEMBL326454 | N-((3R,4R)-1-Benzyl-4-methyl-pyrrol...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-11-25(12-15-7-5-4-6-8-15)13-19(14)24-21(26)16-9-17(22)18(23-2)10-20(16)27-3/h4-10,14,19,23H,11-13H2,1-3H3,(H,24,26)/t14-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone [0.5 nM (Kd=0.2-0.45 nM)] from human recombinant dopamine receptor D2S expressed in CHO cells at 0.5 nM concentration				Bioorg Med Chem Lett 13: 3293-6 (2003) BindingDB Entry DOI: 10.7270/Q2639P5F
					More data for this Ligand-Target Pair