BDBM50342945 (2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-4-((R)-2-(2-(cyclopropylamino)thiazol-4-yl)pyrrolidin-1-yl)-2,3-dihydroxy-4-oxobutanamide::CHEMBL1770649

SMILES: C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(NC2CC2)n1)c1ccc(cc1)-n1cccn1

InChI Key: InChIKey=PRUCBZGVKSTGBL-FPHUIIFBSA-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 = 50342945   

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))	BDBM50342945 ((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(NC2CC2)n1)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C25H30N6O4S/c1-15(16-5-9-18(10-6-16)31-13-3-11-26-31)27-23(34)21(32)22(33)24(35)30-12-2-4-20(30)19-14-36-25(29-19)28-17-7-8-17/h3,5-6,9-11,13-15,17,20-22,32-33H,2,4,7-8,12H2,1H3,(H,27,34)(H,28,29)/t15-,20-,21-,22-/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	5	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))	BDBM50342945 ((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(NC2CC2)n1)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C25H30N6O4S/c1-15(16-5-9-18(10-6-16)31-13-3-11-26-31)27-23(34)21(32)22(33)24(35)30-12-2-4-20(30)19-14-36-25(29-19)28-17-7-8-17/h3,5-6,9-11,13-15,17,20-22,32-33H,2,4,7-8,12H2,1H3,(H,27,34)(H,28,29)/t15-,20-,21-,22-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35E+3	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-7 (MMP7) (Homo sapiens (Human))	BDBM50342945 ((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(NC2CC2)n1)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C25H30N6O4S/c1-15(16-5-9-18(10-6-16)31-13-3-11-26-31)27-23(34)21(32)22(33)24(35)30-12-2-4-20(30)19-14-36-25(29-19)28-17-7-8-17/h3,5-6,9-11,13-15,17,20-22,32-33H,2,4,7-8,12H2,1H3,(H,27,34)(H,28,29)/t15-,20-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.81E+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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50342945 ((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(NC2CC2)n1)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C25H30N6O4S/c1-15(16-5-9-18(10-6-16)31-13-3-11-26-31)27-23(34)21(32)22(33)24(35)30-12-2-4-20(30)19-14-36-25(29-19)28-17-7-8-17/h3,5-6,9-11,13-15,17,20-22,32-33H,2,4,7-8,12H2,1H3,(H,27,34)(H,28,29)/t15-,20-,21-,22-/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	2.05E+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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50342945 ((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(NC2CC2)n1)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C25H30N6O4S/c1-15(16-5-9-18(10-6-16)31-13-3-11-26-31)27-23(34)21(32)22(33)24(35)30-12-2-4-20(30)19-14-36-25(29-19)28-17-7-8-17/h3,5-6,9-11,13-15,17,20-22,32-33H,2,4,7-8,12H2,1H3,(H,27,34)(H,28,29)/t15-,20-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 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
Stromelysin-1 (Homo sapiens (Human))	BDBM50342945 ((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(NC2CC2)n1)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C25H30N6O4S/c1-15(16-5-9-18(10-6-16)31-13-3-11-26-31)27-23(34)21(32)22(33)24(35)30-12-2-4-20(30)19-14-36-25(29-19)28-17-7-8-17/h3,5-6,9-11,13-15,17,20-22,32-33H,2,4,7-8,12H2,1H3,(H,27,34)(H,28,29)/t15-,20-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50342945 ((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(NC2CC2)n1)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C25H30N6O4S/c1-15(16-5-9-18(10-6-16)31-13-3-11-26-31)27-23(34)21(32)22(33)24(35)30-12-2-4-20(30)19-14-36-25(29-19)28-17-7-8-17/h3,5-6,9-11,13-15,17,20-22,32-33H,2,4,7-8,12H2,1H3,(H,27,34)(H,28,29)/t15-,20-,21-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 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
Collagenase 3 (Homo sapiens (Human))	BDBM50342945 ((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(NC2CC2)n1)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C25H30N6O4S/c1-15(16-5-9-18(10-6-16)31-13-3-11-26-31)27-23(34)21(32)22(33)24(35)30-12-2-4-20(30)19-14-36-25(29-19)28-17-7-8-17/h3,5-6,9-11,13-15,17,20-22,32-33H,2,4,7-8,12H2,1H3,(H,27,34)(H,28,29)/t15-,20-,21-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 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
Interstitial collagenase (Homo sapiens (Human))	BDBM50342945 ((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(NC2CC2)n1)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C25H30N6O4S/c1-15(16-5-9-18(10-6-16)31-13-3-11-26-31)27-23(34)21(32)22(33)24(35)30-12-2-4-20(30)19-14-36-25(29-19)28-17-7-8-17/h3,5-6,9-11,13-15,17,20-22,32-33H,2,4,7-8,12H2,1H3,(H,27,34)(H,28,29)/t15-,20-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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))	BDBM50342945 ((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(NC2CC2)n1)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C25H30N6O4S/c1-15(16-5-9-18(10-6-16)31-13-3-11-26-31)27-23(34)21(32)22(33)24(35)30-12-2-4-20(30)19-14-36-25(29-19)28-17-7-8-17/h3,5-6,9-11,13-15,17,20-22,32-33H,2,4,7-8,12H2,1H3,(H,27,34)(H,28,29)/t15-,20-,21-,22-/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	3.02E+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