BDBM120244 US8691753, 93

SMILES: NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1nc2ccccc2s1

InChI Key: InChIKey=ZWXRGJMHGHMUMB-SFTDATJTSA-N

Data: 8 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 8 hits for monomerid = 120244   

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-12 (MMP12) (Homo sapiens (Human))	BDBM120244 (US8691753, 93) Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C30H30N4O7S2/c31-28(40)20(10-15-26(36)37)33-29(41)21(11-16-27(38)39)32-25(35)14-7-17-5-8-18(9-6-17)22-12-13-24(42-22)30-34-19-3-1-2-4-23(19)43-30/h1-6,8-9,12-13,20-21H,7,10-11,14-16H2,(H2,31,40)(H,32,35)(H,33,41)(H,36,37)(H,38,39)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent					Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...				US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM120244 (US8691753, 93) Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C30H30N4O7S2/c31-28(40)20(10-15-26(36)37)33-29(41)21(11-16-27(38)39)32-25(35)14-7-17-5-8-18(9-6-17)22-12-13-24(42-22)30-34-19-3-1-2-4-23(19)43-30/h1-6,8-9,12-13,20-21H,7,10-11,14-16H2,(H2,31,40)(H,32,35)(H,33,41)(H,36,37)(H,38,39)/t20-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent					Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...				US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q
					More data for this Ligand-Target Pair
Matrix metalloproteinase 10 (Homo sapiens (Human))	BDBM120244 (US8691753, 93) Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C30H30N4O7S2/c31-28(40)20(10-15-26(36)37)33-29(41)21(11-16-27(38)39)32-25(35)14-7-17-5-8-18(9-6-17)22-12-13-24(42-22)30-34-19-3-1-2-4-23(19)43-30/h1-6,8-9,12-13,20-21H,7,10-11,14-16H2,(H2,31,40)(H,32,35)(H,33,41)(H,36,37)(H,38,39)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	38.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent					Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...				US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM120244 (US8691753, 93) Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C30H30N4O7S2/c31-28(40)20(10-15-26(36)37)33-29(41)21(11-16-27(38)39)32-25(35)14-7-17-5-8-18(9-6-17)22-12-13-24(42-22)30-34-19-3-1-2-4-23(19)43-30/h1-6,8-9,12-13,20-21H,7,10-11,14-16H2,(H2,31,40)(H,32,35)(H,33,41)(H,36,37)(H,38,39)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	307	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent					Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...				US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM120244 (US8691753, 93) Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C30H30N4O7S2/c31-28(40)20(10-15-26(36)37)33-29(41)21(11-16-27(38)39)32-25(35)14-7-17-5-8-18(9-6-17)22-12-13-24(42-22)30-34-19-3-1-2-4-23(19)43-30/h1-6,8-9,12-13,20-21H,7,10-11,14-16H2,(H2,31,40)(H,32,35)(H,33,41)(H,36,37)(H,38,39)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent					Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...				US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM120244 (US8691753, 93) Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C30H30N4O7S2/c31-28(40)20(10-15-26(36)37)33-29(41)21(11-16-27(38)39)32-25(35)14-7-17-5-8-18(9-6-17)22-12-13-24(42-22)30-34-19-3-1-2-4-23(19)43-30/h1-6,8-9,12-13,20-21H,7,10-11,14-16H2,(H2,31,40)(H,32,35)(H,33,41)(H,36,37)(H,38,39)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent					Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...				US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM120244 (US8691753, 93) Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C30H30N4O7S2/c31-28(40)20(10-15-26(36)37)33-29(41)21(11-16-27(38)39)32-25(35)14-7-17-5-8-18(9-6-17)22-12-13-24(42-22)30-34-19-3-1-2-4-23(19)43-30/h1-6,8-9,12-13,20-21H,7,10-11,14-16H2,(H2,31,40)(H,32,35)(H,33,41)(H,36,37)(H,38,39)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent					Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...				US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q
					More data for this Ligand-Target Pair
Matrix metalloproteinase 14 (Homo sapiens (Human))	BDBM120244 (US8691753, 93) Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C30H30N4O7S2/c31-28(40)20(10-15-26(36)37)33-29(41)21(11-16-27(38)39)32-25(35)14-7-17-5-8-18(9-6-17)22-12-13-24(42-22)30-34-19-3-1-2-4-23(19)43-30/h1-6,8-9,12-13,20-21H,7,10-11,14-16H2,(H2,31,40)(H,32,35)(H,33,41)(H,36,37)(H,38,39)/t20-,21-/m0/s1	MMDB Reactome pathway B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent					Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...				US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q
					More data for this Ligand-Target Pair