BDBM50377936 CALIFORNIDINE

SMILES: C[N+]1(C)[C@H]2Cc3cc4OCOc4cc3[C@@H]1Cc1cc3COCc3cc21

InChI Key: InChIKey=UKXXQEQKOSUQKT-OALUTQOASA-N

Data: 1 IC50  1 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 2 hits for monomerid = 50377936   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50377936 (CALIFORNIDINE) Show SMILES C[N+]1(C)[C@H]2Cc3cc4OCOc4cc3[C@@H]1Cc1cc3COCc3cc21 |r| Show InChI InChI=1S/C21H22NO3/c1-22(2)18-6-13-7-20-21(25-11-24-20)8-17(13)19(22)5-12-3-14-9-23-10-15(14)4-16(12)18/h3-4,7-8,18-19H,5-6,9-11H2,1-2H3/q+1/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tom's of Maine Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Nat Prod 69: 432-5 (2006) Article DOI: 10.1021/np058114h BindingDB Entry DOI: 10.7270/Q2V98907
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50377936 (CALIFORNIDINE) Show SMILES C[N+]1(C)[C@H]2Cc3cc4OCOc4cc3[C@@H]1Cc1cc3COCc3cc21 |r| Show InChI InChI=1S/C21H22NO3/c1-22(2)18-6-13-7-20-21(25-11-24-20)8-17(13)19(22)5-12-3-14-9-23-10-15(14)4-16(12)18/h3-4,7-8,18-19H,5-6,9-11H2,1-2H3/q+1/t18-,19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Tom's of Maine Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHO cells				J Nat Prod 69: 432-5 (2006) Article DOI: 10.1021/np058114h BindingDB Entry DOI: 10.7270/Q2V98907
					More data for this Ligand-Target Pair