BDBM50072566 (2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1H-indol-3-yl)-2-oxo-ethyl]-N*1*-hydroxy-3-isobutyl-succinamide::CHEMBL432991

SMILES: CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12

InChI Key: InChIKey=PJKWYBIJVPNFJI-FBLLAGFSSA-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 8 hits for monomerid = 50072566   

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
Stromelysin-1 (Homo sapiens (Human))	BDBM50072566 ((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1H-indol-3-y...) Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C28H33N3O4/c1-4-10-21(28(34)31-35)22(15-18(2)3)27(33)30-25(16-19-11-6-5-7-12-19)26(32)23-17-29-24-14-9-8-13-20(23)24/h4-9,11-14,17-18,21-22,25,29,35H,1,10,15-16H2,2-3H3,(H,30,33)(H,31,34)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase 3				Bioorg Med Chem Lett 8: 3251-6 (1999) BindingDB Entry DOI: 10.7270/Q289152J
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50072566 ((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1H-indol-3-y...) Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C28H33N3O4/c1-4-10-21(28(34)31-35)22(15-18(2)3)27(33)30-25(16-19-11-6-5-7-12-19)26(32)23-17-29-24-14-9-8-13-20(23)24/h4-9,11-14,17-18,21-22,25,29,35H,1,10,15-16H2,2-3H3,(H,30,33)(H,31,34)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA				Bioorg Med Chem Lett 8: 3251-6 (1999) BindingDB Entry DOI: 10.7270/Q289152J
					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50072566 ((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1H-indol-3-y...) Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C28H33N3O4/c1-4-10-21(28(34)31-35)22(15-18(2)3)27(33)30-25(16-19-11-6-5-7-12-19)26(32)23-17-29-24-14-9-8-13-20(23)24/h4-9,11-14,17-18,21-22,25,29,35H,1,10,15-16H2,2-3H3,(H,30,33)(H,31,34)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase 7				Bioorg Med Chem Lett 8: 3251-6 (1999) BindingDB Entry DOI: 10.7270/Q289152J
					More data for this Ligand-Target Pair
Matrix metalloproteinase 7 (Homo sapiens (Human))	BDBM50072566 ((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1H-indol-3-y...) Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C28H33N3O4/c1-4-10-21(28(34)31-35)22(15-18(2)3)27(33)30-25(16-19-11-6-5-7-12-19)26(32)23-17-29-24-14-9-8-13-20(23)24/h4-9,11-14,17-18,21-22,25,29,35H,1,10,15-16H2,2-3H3,(H,30,33)(H,31,34)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50072566 ((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1H-indol-3-y...) Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C28H33N3O4/c1-4-10-21(28(34)31-35)22(15-18(2)3)27(33)30-25(16-19-11-6-5-7-12-19)26(32)23-17-29-24-14-9-8-13-20(23)24/h4-9,11-14,17-18,21-22,25,29,35H,1,10,15-16H2,2-3H3,(H,30,33)(H,31,34)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50072566 ((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1H-indol-3-y...) Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C28H33N3O4/c1-4-10-21(28(34)31-35)22(15-18(2)3)27(33)30-25(16-19-11-6-5-7-12-19)26(32)23-17-29-24-14-9-8-13-20(23)24/h4-9,11-14,17-18,21-22,25,29,35H,1,10,15-16H2,2-3H3,(H,30,33)(H,31,34)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Matrix metalloproteinase (2 and 3) (Homo sapiens (Human))	BDBM50072566 ((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1H-indol-3-y...) Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C28H33N3O4/c1-4-10-21(28(34)31-35)22(15-18(2)3)27(33)30-25(16-19-11-6-5-7-12-19)26(32)23-17-29-24-14-9-8-13-20(23)24/h4-9,11-14,17-18,21-22,25,29,35H,1,10,15-16H2,2-3H3,(H,30,33)(H,31,34)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50072566 ((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1H-indol-3-y...) Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C28H33N3O4/c1-4-10-21(28(34)31-35)22(15-18(2)3)27(33)30-25(16-19-11-6-5-7-12-19)26(32)23-17-29-24-14-9-8-13-20(23)24/h4-9,11-14,17-18,21-22,25,29,35H,1,10,15-16H2,2-3H3,(H,30,33)(H,31,34)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase 2 isolated from human HT-1080 fibrosarcoma cells induced with TNF				Bioorg Med Chem Lett 8: 3251-6 (1999) BindingDB Entry DOI: 10.7270/Q289152J
					More data for this Ligand-Target Pair