BDBM50538518 CHEMBL4639162

SMILES: [H][C@]12CNC[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O

InChI Key: InChIKey=XIEAQQGNISCWOO-DKIAZLNASA-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 = 50538518   

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
Arginase-1 (Homo sapiens (Human))	BDBM50538518 (CHEMBL4639162) Show SMILES [H][C@]12CNC[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r| Show InChI InChI=1S/C11H21BN2O4/c13-11(10(15)16)4-7-5-14-6-8(7)9(11)2-1-3-12(17)18/h7-9,14,17-18H,1-6,13H2,(H,15,16)/t7-,8+,9-,11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of human arginase1 in presence of DNTB by thio ornithine generation assay				ACS Med Chem Lett 11: 582-588 (2020)
					More data for this Ligand-Target Pair
Arginase-1 (Mus musculus)	BDBM50538518 (CHEMBL4639162) Show SMILES [H][C@]12CNC[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r| Show InChI InChI=1S/C11H21BN2O4/c13-11(10(15)16)4-7-5-14-6-8(7)9(11)2-1-3-12(17)18/h7-9,14,17-18H,1-6,13H2,(H,15,16)/t7-,8+,9-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid UniChem	PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of arginase1 in mouse BMDM cells				ACS Med Chem Lett 11: 582-588 (2020)
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50538518 (CHEMBL4639162) Show SMILES [H][C@]12CNC[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r| Show InChI InChI=1S/C11H21BN2O4/c13-11(10(15)16)4-7-5-14-6-8(7)9(11)2-1-3-12(17)18/h7-9,14,17-18H,1-6,13H2,(H,15,16)/t7-,8+,9-,11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	PubMed	n/a	n/a	361	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of arginase1 in human HEK 293 cells				ACS Med Chem Lett 11: 582-588 (2020)
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50538518 (CHEMBL4639162) Show SMILES [H][C@]12CNC[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r| Show InChI InChI=1S/C11H21BN2O4/c13-11(10(15)16)4-7-5-14-6-8(7)9(11)2-1-3-12(17)18/h7-9,14,17-18H,1-6,13H2,(H,15,16)/t7-,8+,9-,11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of arginase1 in human cancer patient serum				ACS Med Chem Lett 11: 582-588 (2020)
					More data for this Ligand-Target Pair