BDBM50078945 (2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydrazinocarbonyl}-5-phenyl-pentyl)-{1-[2-(3-chloro-phenylamino)-acetylamino]-2-phenyl-ethyl}-phosphinic acid::CHEMBL315843

SMILES: NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1

InChI Key: InChIKey=WYBFHVSAXDKMJV-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50078945   

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
Matrix metalloproteinase 11 (Mus musculus)	BDBM50078945 ((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...) Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1 Show InChI InChI=1S/C39H44ClN6O5P/c40-31-17-10-18-32(23-31)43-25-36(47)45-37(21-28-13-5-2-6-14-28)52(50,51)26-29(16-9-15-27-11-3-1-4-12-27)39(49)46(42)35(38(41)48)22-30-24-44-34-20-8-7-19-33(30)34/h1-8,10-14,17-20,23-24,29,35,37,43-44H,9,15-16,21-22,25-26,42H2,(H2,41,48)(H,45,47)(H,50,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Binding affinity against matrix metalloprotease-11.				J Med Chem 42: 2610-20 (1999) Article DOI: 10.1021/jm9900164 BindingDB Entry DOI: 10.7270/Q22B8X71
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50078945 ((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...) Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1 Show InChI InChI=1S/C39H44ClN6O5P/c40-31-17-10-18-32(23-31)43-25-36(47)45-37(21-28-13-5-2-6-14-28)52(50,51)26-29(16-9-15-27-11-3-1-4-12-27)39(49)46(42)35(38(41)48)22-30-24-44-34-20-8-7-19-33(30)34/h1-8,10-14,17-20,23-24,29,35,37,43-44H,9,15-16,21-22,25-26,42H2,(H2,41,48)(H,45,47)(H,50,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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
CEA Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-8				J Med Chem 42: 2610-20 (1999) Article DOI: 10.1021/jm9900164 BindingDB Entry DOI: 10.7270/Q22B8X71
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50078945 ((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...) Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1 Show InChI InChI=1S/C39H44ClN6O5P/c40-31-17-10-18-32(23-31)43-25-36(47)45-37(21-28-13-5-2-6-14-28)52(50,51)26-29(16-9-15-27-11-3-1-4-12-27)39(49)46(42)35(38(41)48)22-30-24-44-34-20-8-7-19-33(30)34/h1-8,10-14,17-20,23-24,29,35,37,43-44H,9,15-16,21-22,25-26,42H2,(H2,41,48)(H,45,47)(H,50,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Binding affinity against matrix metalloprotease-9 (gelatinase-B).				J Med Chem 42: 2610-20 (1999) Article DOI: 10.1021/jm9900164 BindingDB Entry DOI: 10.7270/Q22B8X71
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50078945 ((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...) Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1 Show InChI InChI=1S/C39H44ClN6O5P/c40-31-17-10-18-32(23-31)43-25-36(47)45-37(21-28-13-5-2-6-14-28)52(50,51)26-29(16-9-15-27-11-3-1-4-12-27)39(49)46(42)35(38(41)48)22-30-24-44-34-20-8-7-19-33(30)34/h1-8,10-14,17-20,23-24,29,35,37,43-44H,9,15-16,21-22,25-26,42H2,(H2,41,48)(H,45,47)(H,50,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Binding affinity against matrix metalloprotease-2 (gelatinase-A).				J Med Chem 42: 2610-20 (1999) Article DOI: 10.1021/jm9900164 BindingDB Entry DOI: 10.7270/Q22B8X71
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50078945 ((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...) Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1 Show InChI InChI=1S/C39H44ClN6O5P/c40-31-17-10-18-32(23-31)43-25-36(47)45-37(21-28-13-5-2-6-14-28)52(50,51)26-29(16-9-15-27-11-3-1-4-12-27)39(49)46(42)35(38(41)48)22-30-24-44-34-20-8-7-19-33(30)34/h1-8,10-14,17-20,23-24,29,35,37,43-44H,9,15-16,21-22,25-26,42H2,(H2,41,48)(H,45,47)(H,50,51)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Binding affinity against matrix metalloprotease-14 MTI-MMP.				J Med Chem 42: 2610-20 (1999) Article DOI: 10.1021/jm9900164 BindingDB Entry DOI: 10.7270/Q22B8X71
					More data for this Ligand-Target Pair