Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mannan-binding lectin serine protease 2' and Ligand = 'BDBM50462099'   

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
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM50462099 (CHEMBL4246684) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C68H101N17O21S2/c1-5-35(4)54(66(104)84-24-8-11-48(84)61(99)76-43(67(105)106)28-52(91)92)82-60(98)47(33-108)80-63(101)53(34(2)3)81-62(100)49-12-7-23-83(49)65(103)50-13-9-25-85(50)64(102)42(27-37-16-20-39(89)21-17-37)75-58(96)45(31-87)77-55(93)40(10-6-22-72-68(70)71)74-57(95)44(30-86)78-59(97)46(32-107)79-56(94)41(73-51(90)29-69)26-36-14-18-38(88)19-15-36/h14-21,34-35,40-50,53-54,86-89,107-108H,5-13,22-33,69H2,1-4H3,(H,73,90)(H,74,95)(H,75,96)(H,76,99)(H,77,93)(H,78,97)(H,79,94)(H,80,101)(H,81,100)(H,82,98)(H,91,92)(H,105,106)(H4,70,71,72)/t35-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,53-,54-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	180	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 MASP-2 (unknown origin) using Z-L-LysSBzl hydrochloride as substrate preincubated for 1 hr followed by substrate addition				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM50462099 (CHEMBL4246684) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C68H101N17O21S2/c1-5-35(4)54(66(104)84-24-8-11-48(84)61(99)76-43(67(105)106)28-52(91)92)82-60(98)47(33-108)80-63(101)53(34(2)3)81-62(100)49-12-7-23-83(49)65(103)50-13-9-25-85(50)64(102)42(27-37-16-20-39(89)21-17-37)75-58(96)45(31-87)77-55(93)40(10-6-22-72-68(70)71)74-57(95)44(30-86)78-59(97)46(32-107)79-56(94)41(73-51(90)29-69)26-36-14-18-38(88)19-15-36/h14-21,34-35,40-50,53-54,86-89,107-108H,5-13,22-33,69H2,1-4H3,(H,73,90)(H,74,95)(H,75,96)(H,76,99)(H,77,93)(H,78,97)(H,79,94)(H,80,101)(H,81,100)(H,82,98)(H,91,92)(H,105,106)(H4,70,71,72)/t35-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,53-,54-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of MASP-2-mediated C4 deposition in human serum after 1 hr by ELISA				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair