null

SMILES: CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1

InChI Key: InChIKey=CSFWIRRKNFTOOA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50530568   

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))	US11337971, Compound C4a (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		27.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	US11337971, Compound C4a (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [125I] DOI from 5HT2A receptor (unknown origin)				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [125I] DOI from 5HT2A receptor (unknown origin)				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [125I] DOI from 5HT2C receptor (unknown origin)				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [125I] DOI from 5HT2C receptor (unknown origin)				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor (unknown origin)				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor (unknown origin)				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting met...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting met...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	US11337971, Compound C4a (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	US11337971, Compound C4a (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.71E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Antagonist activity at human D3 receptor expressed in CHO cells assessed as inhibition of quinpirole-induced mitogenesis				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.40E+3	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Agonist activity at human D3 receptor expressed in CHO cells assessed as stimulation of quinpirole-induced mitogenesis				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.40E+3	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Agonist activity at human D3 receptor expressed in CHO cells assessed as stimulation of quinpirole-induced mitogenesis				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530568 (CHEMBL4534566) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Antagonist activity at human D3 receptor expressed in CHO cells assessed as inhibition of quinpirole-induced mitogenesis				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair