Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Chymase' and Ligand = 'BDBM50520049'   

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
Chymase (Homo sapiens (Human))	BDBM50520049 (CHEMBL4560112) Show SMILES NC(=O)CC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C69H93ClN18O22S2/c70-37-16-14-36(15-17-37)28-42-60(102)83-45(32-89)61(103)79-41(20-23-54(94)95)66(108)88-27-7-13-50(88)68(110)87-26-6-12-49(87)64(106)78-40(19-22-53(92)93)59(101)85-47-34-112-111-33-46(62(104)77-39(58(100)80-42)18-21-51(71)90)84-57(99)38(10-4-24-74-69(72)73)76-52(91)31-75-56(98)43(30-55(96)97)81-65(107)48-11-5-25-86(48)67(109)44(82-63(47)105)29-35-8-2-1-3-9-35/h1-3,8-9,14-17,38-50,89H,4-7,10-13,18-34H2,(H2,71,90)(H,75,98)(H,76,91)(H,77,104)(H,78,106)(H,79,103)(H,80,100)(H,81,107)(H,82,105)(H,83,102)(H,84,99)(H,85,101)(H,92,93)(H,94,95)(H,96,97)(H4,72,73,74)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human chymase expressed in Pichia pastoris X-33 cells using NleTDY-pNA as substrate assessed as cleavage of pNA at pH 7.2 a...				J Med Chem 63: 816-826 (2020) Article DOI: 10.1021/acs.jmedchem.9b01811 BindingDB Entry DOI: 10.7270/Q2RX9GG7
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50520049 (CHEMBL4560112) Show SMILES NC(=O)CC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C69H93ClN18O22S2/c70-37-16-14-36(15-17-37)28-42-60(102)83-45(32-89)61(103)79-41(20-23-54(94)95)66(108)88-27-7-13-50(88)68(110)87-26-6-12-49(87)64(106)78-40(19-22-53(92)93)59(101)85-47-34-112-111-33-46(62(104)77-39(58(100)80-42)18-21-51(71)90)84-57(99)38(10-4-24-74-69(72)73)76-52(91)31-75-56(98)43(30-55(96)97)81-65(107)48-11-5-25-86(48)67(109)44(82-63(47)105)29-35-8-2-1-3-9-35/h1-3,8-9,14-17,38-50,89H,4-7,10-13,18-34H2,(H2,71,90)(H,75,98)(H,76,91)(H,77,104)(H,78,106)(H,79,103)(H,80,100)(H,81,107)(H,82,105)(H,83,102)(H,84,99)(H,85,101)(H,92,93)(H,94,95)(H,96,97)(H4,72,73,74)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human chymase expressed in Pichia pastoris X-33 cells assessed as decrease in angiotensin 1 cleavage to angiotensin 2 incub...				J Med Chem 63: 816-826 (2020) Article DOI: 10.1021/acs.jmedchem.9b01811 BindingDB Entry DOI: 10.7270/Q2RX9GG7
					More data for this Ligand-Target Pair