BDBM84951 CAS_133075::NSC_133075::RS 67506

SMILES: COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1

InChI Key: InChIKey=UATDVRSFFGFTAI-UHFFFAOYSA-N

Data: 18 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 18 hits for monomerid = 84951   

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
HTR4 (GUINEA PIG)	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (RAT)	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (RAT)	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair
DRD1 (GUINEA PIG)	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair
DRD2 (GUINEA PIG)	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (NEONATAL RAT)	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Rattus norvegicus (rat))	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM84951 (CAS_133075 | NSC_133075 | RS 67506) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1 Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 1387-92 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb16628.x BindingDB Entry DOI: 10.7270/Q23B5XP1
					More data for this Ligand-Target Pair