BDBM50453172 CHEMBL4216582

SMILES: [H][C@@]12CC=CC[C@]1([H])C(=NN(C(C)C)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)N1CCC[C@@H]1C(N)=O

InChI Key: InChIKey=LAPKJYPFSPADNV-JBRSBNLGSA-N

Data: 2 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 2 hits for monomerid = 50453172   

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
Class I phosphodiesterase B1 (TbrPDEB1) (Trypanosoma brucei)	BDBM50453172 (CHEMBL4216582) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C(C)C)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)N1CCC[C@@H]1C(N)=O |r,c:3,9| Show InChI InChI=1S/C30H34N4O4/c1-18(2)34-30(37)23-8-5-4-7-22(23)27(32-34)21-14-15-26(38-3)24(17-21)19-10-12-20(13-11-19)29(36)33-16-6-9-25(33)28(31)35/h4-5,10-15,17-18,22-23,25H,6-9,16H2,1-3H3,(H2,31,35)/t22-,23+,25+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50453172 (CHEMBL4216582) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C(C)C)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)N1CCC[C@@H]1C(N)=O |r,c:3,9| Show InChI InChI=1S/C30H34N4O4/c1-18(2)34-30(37)23-8-5-4-7-22(23)27(32-34)21-14-15-26(38-3)24(17-21)19-10-12-20(13-11-19)29(36)33-16-6-9-25(33)28(31)35/h4-5,10-15,17-18,22-23,25H,6-9,16H2,1-3H3,(H2,31,35)/t22-,23+,25+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length recombinant human PDE4B1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair