BDBM50453164 CHEMBL4218358

SMILES: [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)NCC(=O)N(C)C

InChI Key: InChIKey=NFEJTWLAGMQEHL-RRPNLBNLSA-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 = 50453164   

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)	BDBM50453164 (CHEMBL4218358) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)NCC(=O)N(C)C |r,c:3,9| Show InChI InChI=1S/C33H40N4O4/c1-36(2)30(38)21-34-32(39)23-16-14-22(15-17-23)28-20-24(18-19-29(28)41-3)31-26-12-8-9-13-27(26)33(40)37(35-31)25-10-6-4-5-7-11-25/h8-9,14-20,25-27H,4-7,10-13,21H2,1-3H3,(H,34,39)/t26-,27+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	794	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))	BDBM50453164 (CHEMBL4218358) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)NCC(=O)N(C)C |r,c:3,9| Show InChI InChI=1S/C33H40N4O4/c1-36(2)30(38)21-34-32(39)23-16-14-22(15-17-23)28-20-24(18-19-29(28)41-3)31-26-12-8-9-13-27(26)33(40)37(35-31)25-10-6-4-5-7-11-25/h8-9,14-20,25-27H,4-7,10-13,21H2,1-3H3,(H,34,39)/t26-,27+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.16E+3	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