BDBM50342946 (2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-4-((R)-2-(2-(cyclobutylamino)thiazol-4-yl)pyrrolidin-1-yl)-2,3-dihydroxy-4-oxobutanamide::CHEMBL1770650

SMILES: C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(NC2CCC2)n1)c1ccc(cc1)-n1cccn1

InChI Key: InChIKey=RIKDCTFOLNLMSX-HKDUHGGJSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50342946   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50342946 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(NC2CCC2)n1)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C26H32N6O4S/c1-16(17-8-10-19(11-9-17)32-14-4-12-27-32)28-24(35)22(33)23(34)25(36)31-13-3-7-21(31)20-15-37-26(30-20)29-18-5-2-6-18/h4,8-12,14-16,18,21-23,33-34H,2-3,5-7,13H2,1H3,(H,28,35)(H,29,30)/t16-,21-,22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 21: 3172-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.002 BindingDB Entry DOI: 10.7270/Q28P60T1
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50342946 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(NC2CCC2)n1)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C26H32N6O4S/c1-16(17-8-10-19(11-9-17)32-14-4-12-27-32)28-24(35)22(33)23(34)25(36)31-13-3-7-21(31)20-15-37-26(30-20)29-18-5-2-6-18/h4,8-12,14-16,18,21-23,33-34H,2-3,5-7,13H2,1H3,(H,28,35)(H,29,30)/t16-,21-,22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE by cell based assay				Bioorg Med Chem Lett 21: 3172-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.002 BindingDB Entry DOI: 10.7270/Q28P60T1
					More data for this Ligand-Target Pair