Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50011988   

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
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50331042 (2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...) Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r| Show InChI InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant full length human IRAP expressed in HEK293T cells using Leu-MCA as substrate				Citation and Details Article DOI: 10.1039/c9md00485h BindingDB Entry DOI: 10.7270/Q2377DB2
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50553093 (CHEMBL4762305) Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant full length human IRAP expressed in HEK293T cells using Leu-MCA as substrate				Citation and Details Article DOI: 10.1039/c9md00485h BindingDB Entry DOI: 10.7270/Q2377DB2
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50553090 (CHEMBL4744066) Show SMILES OC(=O)Cc1ccccc1CNC(=O)[C@@H]1CSSCCCCN[C@@H](Cc2ccc(O)cc2)CC(=O)N1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant full length human IRAP expressed in HEK293T cells using Leu-MCA as substrate				Citation and Details Article DOI: 10.1039/c9md00485h BindingDB Entry DOI: 10.7270/Q2377DB2
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50553094 (CHEMBL4761376) Show SMILES N[C@H]1CNC(=O)CC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant full length human IRAP expressed in HEK293T cells using Leu-MCA as substrate				Citation and Details Article DOI: 10.1039/c9md00485h BindingDB Entry DOI: 10.7270/Q2377DB2
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50553092 (CHEMBL4753417) Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(F)cc2)NC1=O)C(=O)NCc1ccccc1CC(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	201	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant full length human IRAP expressed in HEK293T cells using Leu-MCA as substrate				Citation and Details Article DOI: 10.1039/c9md00485h BindingDB Entry DOI: 10.7270/Q2377DB2
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50553095 (CHEMBL4745618) Show SMILES N[C@H]1CCC(=O)NCC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	674	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant full length human IRAP expressed in HEK293T cells using Leu-MCA as substrate				Citation and Details Article DOI: 10.1039/c9md00485h BindingDB Entry DOI: 10.7270/Q2377DB2
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50553096 (CHEMBL4787513) Show SMILES N[C@H]1CCNC(=O)CC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	887	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant full length human IRAP expressed in HEK293T cells using Leu-MCA as substrate				Citation and Details Article DOI: 10.1039/c9md00485h BindingDB Entry DOI: 10.7270/Q2377DB2
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50553091 (CHEMBL4778960) Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1)C(=O)NCc1ccccc1CC(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant full length human IRAP expressed in HEK293T cells using Leu-MCA as substrate				Citation and Details Article DOI: 10.1039/c9md00485h BindingDB Entry DOI: 10.7270/Q2377DB2
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50331042 (2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...) Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r| Show InChI InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length human IRAP expressed in HEK293T cells assessed as substrate cleavage using Leu-MCA as substrate by fluorogenic ...				Citation and Details Article DOI: 10.1039/c9md00485h BindingDB Entry DOI: 10.7270/Q2377DB2
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50553093 (CHEMBL4762305) Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length human IRAP expressed in HEK293T cells assessed as substrate cleavage using Leu-MCA as substrate by fluorogenic ...				Citation and Details Article DOI: 10.1039/c9md00485h BindingDB Entry DOI: 10.7270/Q2377DB2
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50553092 (CHEMBL4753417) Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(F)cc2)NC1=O)C(=O)NCc1ccccc1CC(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length human IRAP expressed in HEK293T cells assessed as substrate cleavage using Leu-MCA as substrate by fluorogenic ...				Citation and Details Article DOI: 10.1039/c9md00485h BindingDB Entry DOI: 10.7270/Q2377DB2
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50553095 (CHEMBL4745618) Show SMILES N[C@H]1CCC(=O)NCC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length human IRAP expressed in HEK293T cells assessed as substrate cleavage using Leu-MCA as substrate by fluorogenic ...				Citation and Details Article DOI: 10.1039/c9md00485h BindingDB Entry DOI: 10.7270/Q2377DB2
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50553096 (CHEMBL4787513) Show SMILES N[C@H]1CCNC(=O)CC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length human IRAP expressed in HEK293T cells assessed as substrate cleavage using Leu-MCA as substrate by fluorogenic ...				Citation and Details Article DOI: 10.1039/c9md00485h BindingDB Entry DOI: 10.7270/Q2377DB2
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50553091 (CHEMBL4778960) Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1)C(=O)NCc1ccccc1CC(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length human IRAP expressed in HEK293T cells assessed as substrate cleavage using Leu-MCA as substrate by fluorogenic ...				Citation and Details Article DOI: 10.1039/c9md00485h BindingDB Entry DOI: 10.7270/Q2377DB2
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50553090 (CHEMBL4744066) Show SMILES OC(=O)Cc1ccccc1CNC(=O)[C@@H]1CSSCCCCN[C@@H](Cc2ccc(O)cc2)CC(=O)N1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length human IRAP expressed in HEK293T cells assessed as substrate cleavage using Leu-MCA as substrate by fluorogenic ...				Citation and Details Article DOI: 10.1039/c9md00485h BindingDB Entry DOI: 10.7270/Q2377DB2
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50553094 (CHEMBL4761376) Show SMILES N[C@H]1CNC(=O)CC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length human IRAP expressed in HEK293T cells assessed as substrate cleavage using Leu-MCA as substrate by fluorogenic ...				Citation and Details Article DOI: 10.1039/c9md00485h BindingDB Entry DOI: 10.7270/Q2377DB2
					More data for this Ligand-Target Pair