BDBM27618 3-(2-bromo-4-{1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl}phenoxy)-5-methylbenzonitrile::pyrazolo[3,4-c]pyridazine, 10

SMILES: Cc1cc(Oc2ccc(Cc3n[nH]c4nnccc34)cc2Br)cc(c1)C#N

InChI Key: InChIKey=YYGZQXRLQMFHDH-UHFFFAOYSA-N

Data: 2 EC50

PDB links: 1 PDB ID matches this monomer.

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 = 27618   

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
HIV-1 Reverse Transcriptase Mutant (103N/181C) (Human immunodeficiency virus type 1)	BDBM27618 (3-(2-bromo-4-{1H-pyrazolo[3,4-c]pyridazin-3-ylmeth...) Show SMILES Cc1cc(Oc2ccc(Cc3n[nH]c4nnccc34)cc2Br)cc(c1)C#N Show InChI InChI=1S/C20H14BrN5O/c1-12-6-14(11-22)8-15(7-12)27-19-3-2-13(9-17(19)21)10-18-16-4-5-23-25-20(16)26-24-18/h2-9H,10H2,1H3,(H,24,25,26)	PDB MMDB B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	>100	n/a	n/a	8.0	30
Roche Palo Alto LLC					Assay Description IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...				J Med Chem 51: 7449-58 (2008) Article DOI: 10.1021/jm800527x BindingDB Entry DOI: 10.7270/Q2TQ5ZV0
					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27618 (3-(2-bromo-4-{1H-pyrazolo[3,4-c]pyridazin-3-ylmeth...) Show SMILES Cc1cc(Oc2ccc(Cc3n[nH]c4nnccc34)cc2Br)cc(c1)C#N Show InChI InChI=1S/C20H14BrN5O/c1-12-6-14(11-22)8-15(7-12)27-19-3-2-13(9-17(19)21)10-18-16-4-5-23-25-20(16)26-24-18/h2-9H,10H2,1H3,(H,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	MMDB Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	8.0	30
Roche Palo Alto LLC					Assay Description IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...				J Med Chem 51: 7449-58 (2008) Article DOI: 10.1021/jm800527x BindingDB Entry DOI: 10.7270/Q2TQ5ZV0
					More data for this Ligand-Target Pair