BDBM50128540 5-(1,3,4,9-Tetrahydro-beta-carbolin-2-ylmethyl)-pyrimidine-2,4-diamine::CHEMBL75944

SMILES: Nc1ncc(CN2CCc3c(C2)[nH]c2ccccc32)c(N)n1

InChI Key: InChIKey=GQMRCYBXVKJXAP-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50128540   

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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128540 (5-(1,3,4,9-Tetrahydro-beta-carbolin-2-ylmethyl)-py...) Show SMILES Nc1ncc(CN2CCc3c(C2)[nH]c2ccccc32)c(N)n1 Show InChI InChI=1S/C16H18N6/c17-15-10(7-19-16(18)21-15)8-22-6-5-12-11-3-1-2-4-13(11)20-14(12)9-22/h1-4,7,20H,5-6,8-9H2,(H4,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Antibacterial activity against TMP-Resistance Dihydrofolate reductase from Staphylococcus pneumoniae 1/1				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128540 (5-(1,3,4,9-Tetrahydro-beta-carbolin-2-ylmethyl)-py...) Show SMILES Nc1ncc(CN2CCc3c(C2)[nH]c2ccccc32)c(N)n1 Show InChI InChI=1S/C16H18N6/c17-15-10(7-19-16(18)21-15)8-22-6-5-12-11-3-1-2-4-13(11)20-14(12)9-22/h1-4,7,20H,5-6,8-9H2,(H4,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Antibacterial activity of TMP-susceptible Dihydrofolate reductase against Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Staphylococcus aureus (strain MW2))	BDBM50128540 (5-(1,3,4,9-Tetrahydro-beta-carbolin-2-ylmethyl)-py...) Show SMILES Nc1ncc(CN2CCc3c(C2)[nH]c2ccccc32)c(N)n1 Show InChI InChI=1S/C16H18N6/c17-15-10(7-19-16(18)21-15)8-22-6-5-12-11-3-1-2-4-13(11)20-14(12)9-22/h1-4,7,20H,5-6,8-9H2,(H4,17,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against TMP-Resistance Dihydrofolate reductase from Staphylococcus aureus 157/4696				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128540 (5-(1,3,4,9-Tetrahydro-beta-carbolin-2-ylmethyl)-py...) Show SMILES Nc1ncc(CN2CCc3c(C2)[nH]c2ccccc32)c(N)n1 Show InChI InChI=1S/C16H18N6/c17-15-10(7-19-16(18)21-15)8-22-6-5-12-11-3-1-2-4-13(11)20-14(12)9-22/h1-4,7,20H,5-6,8-9H2,(H4,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair