BDBM85826 (R)-N-Isopropyl-3-[isopropyl(propyl)amino]-3,4-dihydro-2H-1-benzopyran-5-carboxamide::NAE-086

SMILES: CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1

InChI Key: InChIKey=UEAKCKJAKUFIQP-OAHLLOKOSA-N

Data: 7 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 7 hits for monomerid = 85826   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM85826 ((R)-N-Isopropyl-3-[isopropyl(propyl)amino]-3,4-dih...) Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1 Show InChI InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 883-93 (2001) BindingDB Entry DOI: 10.7270/Q2PK0DQ2
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Rattus norvegicus (rat))	BDBM85826 ((R)-N-Isopropyl-3-[isopropyl(propyl)amino]-3,4-dih...) Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1 Show InChI InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 883-93 (2001) BindingDB Entry DOI: 10.7270/Q2PK0DQ2
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM85826 ((R)-N-Isopropyl-3-[isopropyl(propyl)amino]-3,4-dih...) Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1 Show InChI InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m1/s1	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 883-93 (2001) BindingDB Entry DOI: 10.7270/Q2PK0DQ2
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (RAT)	BDBM85826 ((R)-N-Isopropyl-3-[isopropyl(propyl)amino]-3,4-dih...) Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1 Show InChI InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 883-93 (2001) BindingDB Entry DOI: 10.7270/Q2PK0DQ2
					More data for this Ligand-Target Pair
HTR1B (BOVINE)	BDBM85826 ((R)-N-Isopropyl-3-[isopropyl(propyl)amino]-3,4-dih...) Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1 Show InChI InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m1/s1	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 883-93 (2001) BindingDB Entry DOI: 10.7270/Q2PK0DQ2
					More data for this Ligand-Target Pair
HTR6 (RAT)	BDBM85826 ((R)-N-Isopropyl-3-[isopropyl(propyl)amino]-3,4-dih...) Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1 Show InChI InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 883-93 (2001) BindingDB Entry DOI: 10.7270/Q2PK0DQ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM85826 ((R)-N-Isopropyl-3-[isopropyl(propyl)amino]-3,4-dih...) Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1 Show InChI InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 883-93 (2001) BindingDB Entry DOI: 10.7270/Q2PK0DQ2
					More data for this Ligand-Target Pair