Compile Data Set for Download or QSAR

Found 10 hits of ic50 data for polymerid = 50002227   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neutrophil collagenase (Rattus norvegicus)	BDBM50291446 ((R)-2-(2-Mercapto-acetylamino)-N-((S)-1-methylcarb...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)CS Show InChI InChI=1S/C16H23N3O3S2/c1-17-15(21)12(8-11-6-4-3-5-7-11)19-16(22)13(10-24-2)18-14(20)9-23/h3-7,12-13,23H,8-10H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t12-,13-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Neutrophil collagenase (Rattus norvegicus)	BDBM50291447 ((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...) Show SMILES CNC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C15H24N4O3S2/c1-9(2)4-11(18-13(20)6-23)15(22)19-12(14(21)16-3)5-10-7-24-8-17-10/h7-9,11-12,23H,4-6H2,1-3H3,(H,16,21)(H,18,20)(H,19,22)/t11-,12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Matrix metalloproteinase-8(MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Neutrophil collagenase (Rattus norvegicus)	BDBM50291444 ((R)-N-[(S)-2-(1H-Indol-3-yl)-1-methylcarbamoyl-eth...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSC)NC(=O)CS Show InChI InChI=1S/C18H24N4O3S2/c1-19-17(24)14(7-11-8-20-13-6-4-3-5-12(11)13)22-18(25)15(10-27-2)21-16(23)9-26/h3-6,8,14-15,20,26H,7,9-10H2,1-2H3,(H,19,24)(H,21,23)(H,22,25)/t14-,15-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Matrix metalloproteinase-8(MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Neutrophil collagenase (Rattus norvegicus)	BDBM50290672 ((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C18H27N3O3S/c1-12(2)9-14(20-16(22)11-25)18(24)21-15(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Neutrophil collagenase (Rattus norvegicus)	BDBM50291445 ((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C20H28N4O3S/c1-12(2)8-16(23-18(25)11-28)20(27)24-17(19(26)21-3)9-13-10-22-15-7-5-4-6-14(13)15/h4-7,10,12,16-17,22,28H,8-9,11H2,1-3H3,(H,21,26)(H,23,25)(H,24,27)/t16-,17-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Matrix metalloproteinase-8(MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Neutrophil collagenase (Rattus norvegicus)	BDBM50291443 ((R)-2-(2-Mercapto-acetylamino)-3-methanesulfinyl-N...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS(C)=O)NC(=O)CS Show InChI InChI=1S/C16H23N3O4S2/c1-17-15(21)12(8-11-6-4-3-5-7-11)19-16(22)13(10-25(2)23)18-14(20)9-24/h3-7,12-13,24H,8-10H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t12-,13-,25?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Neutrophil collagenase (Rattus norvegicus)	BDBM50291449 ((S)-4-Methyl-2-(2-methylsulfanyl-acetylamino)-pent...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CSC Show InChI InChI=1S/C19H29N3O3S/c1-13(2)10-15(21-17(23)12-26-4)19(25)22-16(18(24)20-3)11-14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Neutrophil collagenase (Rattus norvegicus)	BDBM50291441 ((S)-3-Hydroxy-2-(2-mercapto-acetylamino)-N-((S)-1-...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CS)C(C)O Show InChI InChI=1S/C16H23N3O4S/c1-10(20)14(19-13(21)9-24)16(23)18-12(15(22)17-2)8-11-6-4-3-5-7-11/h3-7,10,12,14,20,24H,8-9H2,1-2H3,(H,17,22)(H,18,23)(H,19,21)/t10?,12-,14-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Neutrophil collagenase (Rattus norvegicus)	BDBM50291448 ((S)-2-(3-Mercapto-propionylamino)-4-methyl-pentano...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CCS Show InChI InChI=1S/C19H29N3O3S/c1-13(2)11-15(21-17(23)9-10-26)19(25)22-16(18(24)20-3)12-14-7-5-4-6-8-14/h4-8,13,15-16,26H,9-12H2,1-3H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Neutrophil collagenase (Rattus norvegicus)	BDBM50291442 ((S)-4-Methyl-2-propionylamino-pentanoic acid ((S)-...) Show SMILES CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C19H29N3O3/c1-5-17(23)21-15(11-13(2)3)19(25)22-16(18(24)20-4)12-14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair