BDBM50342959 (2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-2,3-dihydroxy-4-((R)-1-(2-(methylamino)thiazol-4-yl)isoindolin-2-yl)-4-oxobutanamide::CHEMBL1770826

SMILES: CNc1nc(cs1)[C@@H]1N(Cc2ccccc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1

InChI Key: InChIKey=LOTUNSOIIWVNBG-JUJUEEDWSA-N

Data: 9 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 10 hits for monomerid = 50342959   

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))	BDBM50342959 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES CNc1nc(cs1)[C@@H]1N(Cc2ccccc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C27H28N6O4S/c1-16(17-8-10-19(11-9-17)33-13-5-12-29-33)30-25(36)23(34)24(35)26(37)32-14-18-6-3-4-7-20(18)22(32)21-15-38-27(28-2)31-21/h3-13,15-16,22-24,34-35H,14H2,1-2H3,(H,28,31)(H,30,36)/t16-,22-,23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	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 10 (ADAM10) (Homo sapiens (Human))	BDBM50342959 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES CNc1nc(cs1)[C@@H]1N(Cc2ccccc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C27H28N6O4S/c1-16(17-8-10-19(11-9-17)33-13-5-12-29-33)30-25(36)23(34)24(35)26(37)32-14-18-6-3-4-7-20(18)22(32)21-15-38-27(28-2)31-21/h3-13,15-16,22-24,34-35H,14H2,1-2H3,(H,28,31)(H,30,36)/t16-,22-,23-,24-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	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 ADAM10				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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50342959 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES CNc1nc(cs1)[C@@H]1N(Cc2ccccc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C27H28N6O4S/c1-16(17-8-10-19(11-9-17)33-13-5-12-29-33)30-25(36)23(34)24(35)26(37)32-14-18-6-3-4-7-20(18)22(32)21-15-38-27(28-2)31-21/h3-13,15-16,22-24,34-35H,14H2,1-2H3,(H,28,31)(H,30,36)/t16-,22-,23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.01E+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 MMP9				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
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50342959 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES CNc1nc(cs1)[C@@H]1N(Cc2ccccc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C27H28N6O4S/c1-16(17-8-10-19(11-9-17)33-13-5-12-29-33)30-25(36)23(34)24(35)26(37)32-14-18-6-3-4-7-20(18)22(32)21-15-38-27(28-2)31-21/h3-13,15-16,22-24,34-35H,14H2,1-2H3,(H,28,31)(H,30,36)/t16-,22-,23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.35E+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 MMP7				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
Collagenase 3 (Homo sapiens (Human))	BDBM50342959 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES CNc1nc(cs1)[C@@H]1N(Cc2ccccc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C27H28N6O4S/c1-16(17-8-10-19(11-9-17)33-13-5-12-29-33)30-25(36)23(34)24(35)26(37)32-14-18-6-3-4-7-20(18)22(32)21-15-38-27(28-2)31-21/h3-13,15-16,22-24,34-35H,14H2,1-2H3,(H,28,31)(H,30,36)/t16-,22-,23-,24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.41E+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 MMP13				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
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50342959 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES CNc1nc(cs1)[C@@H]1N(Cc2ccccc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C27H28N6O4S/c1-16(17-8-10-19(11-9-17)33-13-5-12-29-33)30-25(36)23(34)24(35)26(37)32-14-18-6-3-4-7-20(18)22(32)21-15-38-27(28-2)31-21/h3-13,15-16,22-24,34-35H,14H2,1-2H3,(H,28,31)(H,30,36)/t16-,22-,23-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.64E+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 MMP14				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
Stromelysin-1 (Homo sapiens (Human))	BDBM50342959 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES CNc1nc(cs1)[C@@H]1N(Cc2ccccc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C27H28N6O4S/c1-16(17-8-10-19(11-9-17)33-13-5-12-29-33)30-25(36)23(34)24(35)26(37)32-14-18-6-3-4-7-20(18)22(32)21-15-38-27(28-2)31-21/h3-13,15-16,22-24,34-35H,14H2,1-2H3,(H,28,31)(H,30,36)/t16-,22-,23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>4.00E+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 MMP3				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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50342959 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES CNc1nc(cs1)[C@@H]1N(Cc2ccccc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C27H28N6O4S/c1-16(17-8-10-19(11-9-17)33-13-5-12-29-33)30-25(36)23(34)24(35)26(37)32-14-18-6-3-4-7-20(18)22(32)21-15-38-27(28-2)31-21/h3-13,15-16,22-24,34-35H,14H2,1-2H3,(H,28,31)(H,30,36)/t16-,22-,23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>4.00E+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 MMP2				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
Interstitial collagenase (Homo sapiens (Human))	BDBM50342959 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES CNc1nc(cs1)[C@@H]1N(Cc2ccccc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C27H28N6O4S/c1-16(17-8-10-19(11-9-17)33-13-5-12-29-33)30-25(36)23(34)24(35)26(37)32-14-18-6-3-4-7-20(18)22(32)21-15-38-27(28-2)31-21/h3-13,15-16,22-24,34-35H,14H2,1-2H3,(H,28,31)(H,30,36)/t16-,22-,23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>4.00E+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 MMP1				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))	BDBM50342959 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES CNc1nc(cs1)[C@@H]1N(Cc2ccccc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C27H28N6O4S/c1-16(17-8-10-19(11-9-17)33-13-5-12-29-33)30-25(36)23(34)24(35)26(37)32-14-18-6-3-4-7-20(18)22(32)21-15-38-27(28-2)31-21/h3-13,15-16,22-24,34-35H,14H2,1-2H3,(H,28,31)(H,30,36)/t16-,22-,23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	416	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